Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems

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
pathThe 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
pathThe 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
contentsThe 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
streamThe 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
pathThe 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
pathThe 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.

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