Class to parse the command line options for non-default options and pass them to a Utils::Settings class. More...

Collaboration diagram for Scine::Swoose::CommandLineOptions:

Public Member Functions
	CommandLineOptions (int argc, char *argv[])
	Class constructor, parses the command line arguments and maps them to the according setting. More...

bool	helpRequired () const
	Returns whether the help flag option has been set.

void	printHelp (Core::Log &log) const
	Prints the help message.

std::string	getStructureFile () const
	Returns the path to the molecular structure's XYZ file.

std::string	getSettingsFile () const
	Returns the path to the settings YAML file.

std::string	getMode () const
	Returns the mode of the Swoose app.

bool	quantumCalculationRequired () const
	Returns whether a QM/MM hybrid model is turned on.

bool	hessianRequired () const
	Returns whether a Hessian is required from an MM calculation.

bool	debugLoggingRequired () const
	Returns whether debug information should be logged.

Detailed Description

Class to parse the command line options for non-default options and pass them to a Utils::Settings class.

This class uses the pImpl idiom to hide the boost::program_options dependency.

Constructor & Destructor Documentation

Scine::Swoose::CommandLineOptions::CommandLineOptions	(	int	argc,
		char *	argv[]
	)

Class constructor, parses the command line arguments and maps them to the according setting.

Parameters

argv	the vector with the argument strings.
argc	the number of arguments.

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