A type used to output sequence of chemical states to a file or terminal. More...

#include <ChemicalOutput.hpp>

Public Member Functions
	ChemicalOutput ()
	Construct a default ChemicalOutput instance.

	ChemicalOutput (const ChemicalSystem &system)
	Construct a ChemicalOutput instance with given ChemicalSystem instance.

	ChemicalOutput (const ReactionSystem &reactions)
	Construct a ChemicalOutput instance with given ReactionSystem instance.

virtual	~ChemicalOutput ()
	Destroy this ChemicalOutput instance.

auto	filename (std::string filename) -> void
	Set the name of the output file.

auto	filename () const -> std::string
	Return the name of the output file.

auto	suffix (std::string name) -> void
	Set a sufix word to the output file name.

auto	suffix () const -> std::string
	Return the suffix word of the output file name.

auto	basename () const -> std::string
	Return the base name of output file name.

auto	extension () const -> std::string
	Return the extension name of output file name.

auto	add (std::string quantity) -> void
	Add a quantity to be output. More...

auto	add (std::string quantity, std::string label) -> void
	Add a quantity to be output. More...

auto	attachments (std::vector< std::string > titles) -> void
	Set the titles of extra columns in the output file.

auto	attach (int value) -> void
	Attach value to extra column data in the output file.

auto	attach (double value) -> void
	Attach extra column data in the output file.

auto	attach (std::string value) -> void
	Attach extra column data in the output file.

auto	precision (int val) -> void
	Set the floating-point precision in the output.

auto	scientific (bool enable) -> void
	Enable or disable output in scientific format.

auto	terminal (bool enabled) -> void
	Enable or disable the output to the terminal.

auto	quantities () const -> std::vector< std::string >
	Return the name of the quantities in the output file.

auto	headings () const -> std::vector< std::string >
	Return the headings of the output file.

auto	open () -> void
	Open the output file.

auto	update (const ChemicalState &state, double t) -> void
	Update the output with a new chemical state and its tag.

auto	close () -> void
	Close the output file.

	operator bool () const
	Convert this ChemicalOutput instance to bool.

Detailed Description

A type used to output sequence of chemical states to a file or terminal.

Member Function Documentation

◆ add() [1/2]

auto add ( std::string quantity ) -> void

Add a quantity to be output.

Parameters

quantity The quantity name.

◆ add() [2/2]

auto add	(	std::string	quantity,
		std::string	label
	)		-> void