Database Class Reference

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

#include <Database.hpp>

Public Member Functions
	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	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.

See also

Element, Species

Member Function Documentation

fromFile()

static auto fromFile ( String const &  path ) -> Database

static

Return a Database object constructed with a given local file.

Warning

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

Parameters

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

fromEmbeddedFile()

static auto fromEmbeddedFile ( String const &  path ) -> Database

static

Return a Database object constructed with a given embedded file.

Warning

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

Parameters

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

fromContents()

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

static

Return a Database object constructed with given database text contents.

Parameters

contents

The contents of the database as a string.

fromStream()

static auto fromStream ( std::istream &  stream ) -> Database

static

Return a Database object constructed with given input stream containing the database text contents.

Parameters

stream

The input stream containing the database file contents.

local()

static auto local ( String const &  path ) -> Database

static

Return a Database object constructed with a given local file.

Warning

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

Parameters

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

embedded()

static auto embedded ( String const &  path ) -> Database

static

Return a Database object constructed with a given embedded file.

Warning

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

Parameters

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

addElement()

auto addElement

(

Element const &

element

)

-> void

Add an element in the database.

Note

If an Element object with same symbol already exists in the Database container, the given Element object is not added.

addSpecies()

auto addSpecies

(

Species const &

species

)

-> void

Add a species in the database.

Note

If a Species object with same name already exists in the Database container, the added Species object has its name slightly changed (e.g. H2O becomes H2O!).

element()

auto element

(

String const &

symbol

)

const -> Element const &

Return an element with given symbol in the database.

Warning

An exception is thrown if no element with given symbol exists.

species()

auto species

(

String const &

name

)

const -> Species const &

Return a species with given name in the database.

Warning

An exception is thrown if no species with given name exists.

reaction()

auto reaction

(

String const &

equation

)

const -> Reaction

Construct a reaction with given equation.

Warning

An exception is thrown if the reaction has an inexistent species in the database.

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

• Reaktoro/Core/Database.hpp