Reaktoro  v2.0.0
A unified framework for modeling chemically reactive systems

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

#include <SupcrtDatabase.hpp>

Collaboration diagram for SupcrtDatabase:
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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 (const Database &other)
 Construct a copy of a Database object.
 
 Database (const Vec< Element > &elements, const Vec< Species > &species)
 Construct a Database object with given elements and species.
 
 Database (const Vec< Species > &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 (const Element &element) -> void
 Add an element in the database. More...
 
auto addSpecies (const Species &species) -> void
 Add a species in the database. More...
 
auto addSpecies (const Vec< Species > &species) -> void
 Add a list of species in the database.
 
auto attachData (const Any &data) -> void
 Attach data to this database whose type is known at runtime only.
 
auto extend (const Database &other) -> void
 Extend this database with the elements, species and other contents from another database.
 
auto elements () const -> const ElementList &
 Return all elements in the database.
 
auto species () const -> const SpeciesList &
 Return all species in the database.
 
auto speciesWithAggregateState (AggregateState option) const -> SpeciesList
 Return all species in the database with given aggregate state.
 
auto element (const String &symbol) const -> const Element &
 Return an element with given symbol in the database. More...
 
auto species (const String &name) const -> const Species &
 Return a species with given name in the database. More...
 
auto reaction (const String &equation) const -> Reaction
 Construct a reaction with given equation. More...
 
auto attachedData () const -> const Any &
 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 auto fromFile (const String &path) -> SupcrtDatabase
 Return a SupcrtDatabase object constructed with a given local file. More...
 
static auto fromContents (const String &contents) -> SupcrtDatabase
 Return a SupcrtDatabase object initialized with given database text contents. More...
 
- Static Public Member Functions inherited from Database
static auto fromFile (const String &path) -> Database
 Return a Database object constructed with a given local file. More...
 
static auto fromContents (const String &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...
 

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
    nameThe name of the embedded database.

◆ SupcrtDatabase() [2/2]

SupcrtDatabase ( const Database other)

Construct a SupcrtDatabase object from another given Database object.

Parameters
otherThe 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.

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
    nameThe name of the embedded database.

◆ fromFile()

static auto fromFile ( const String path) -> SupcrtDatabase
static

Return a SupcrtDatabase object constructed with a given local file.

Warning
An exception is thrown if path does not point to a valid database file.
Parameters
pathThe path, including file name, to the database file.

◆ fromContents()

static auto fromContents ( const String contents) -> SupcrtDatabase
static

Return a SupcrtDatabase object initialized with given database text contents.

Parameters
contentsThe contents of the database as a string.

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