PhreeqcDatabase Class Reference

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

#include <PhreeqcDatabase.hpp>

Collaboration diagram for PhreeqcDatabase:

Public Member Functions
	PhreeqcDatabase ()
	Construct a default PhreeqcDatabase object.
	PhreeqcDatabase (const String &name)
	Construct a PhreeqcDatabase object using an embedded PHREEQC database. More...
auto	load (const String &database) -> PhreeqcDatabase &
	Extend this PhreeqcDatabase object with contents in given database file. More...
auto	ptr () const -> SharedPtr< PHREEQC > const &
	Return the underlying PHREEQC object.
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) -> PhreeqcDatabase
	Return a PhreeqcDatabase object constructed with an embedded database file. More...
static auto	fromFile (const String &path) -> PhreeqcDatabase
	Return a PhreeqcDatabase object constructed with a given local file. More...
static auto	fromContents (const String &contents) -> PhreeqcDatabase
	Return a PhreeqcDatabase object constructed with given database text contents. More...
static auto	contents (const String &name) -> String
	Return the contents of an embedded PHREEQC database as a string. More...
static auto	namesEmbeddedDatabases () -> Strings
	Return the names of the currently supported embedded PHREEQC databases.
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 PHREEQC databases.

Constructor & Destructor Documentation

PhreeqcDatabase()

PhreeqcDatabase

(

const String &

name

)

Construct a PhreeqcDatabase object using an embedded PHREEQC database.

If name does not correspond to one of the following names, an exception is thrown:

• Amm.dat
• frezchem.dat
• iso.dat
• llnl.dat
• minteq.dat
• minteq.v4.dat
• phreeqc.dat
• pitzer.dat
• sit.dat
• wateq4f.dat

  Parameters

  name	The name of the embedded PHREEQC database file

Member Function Documentation

load()

auto load

(

const String &

database

)

-> PhreeqcDatabase &

Extend this PhreeqcDatabase object with contents in given database file.

This method supports either a path to a database file, including its file name, or a multi-line string containing the database contents.

Parameters

database

The path to the database file or its contents as a string

withName()

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

static

Return a PhreeqcDatabase object constructed with an embedded database file.

If name does not correspond to one of the following names, an exception is thrown:

• Amm.dat
• frezchem.dat
• iso.dat
• llnl.dat
• minteq.dat
• minteq.v4.dat
• phreeqc.dat
• pitzer.dat
• sit.dat
• wateq4f.dat

  Parameters

  name	The name of the embedded PHREEQC database file

fromFile()

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

static

Return a PhreeqcDatabase object constructed with a given local file.

Parameters

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

Warning

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

fromContents()

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

static

Return a PhreeqcDatabase object constructed with given database text contents.

Parameters

contents

The contents of the database as a string.

contents()

static auto contents ( const String &  name ) -> String

static

Return the contents of an embedded PHREEQC database as a string.

Parameters

name	The name of the embedded PHREEQC database file

See also

withName

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

• Reaktoro/Extensions/Phreeqc/PhreeqcDatabase.hpp