XtpTools Class Reference

Inheritance diagram for XtpTools:

Collaboration diagram for XtpTools:

Public Member Functions
	XtpTools ()
	~XtpTools ()=default
std::string	ProgramName () final
	program name
void	HelpText (std::ostream &out) final
	help text of application without version information
Public Member Functions inherited from votca::xtp::XtpApplication
	XtpApplication ()
	~XtpApplication () override
void	Initialize () final
	Adds program options to the executable.
bool	EvaluateOptions () final
	Process command line options.
void	Run () final
	Main body of application.
void	ShowHelpText (std::ostream &out) final
Public Member Functions inherited from votca::tools::Application
	Application ()
virtual	~Application ()
int	Exec (int argc, char **argv)
	executes the program
virtual std::string	VersionString ()
	version string of application
void	CheckRequired (const std::string &option_name, const std::string &error_msg="")
	Check weather required option is set.
boost::program_options::options_description_easy_init	AddProgramOptions (const std::string &group="")
	add option for command line
boost::program_options::variables_map &	OptionsMap ()
	get available program options & descriptions
boost::program_options::options_description &	OptionsDesc ()
boost::program_options::options_description &	VisibleOptions ()
	filters out the Hidden group from the options descriptions
void	StopExecution ()
	call StopExecution after EvaluateOptions

Protected Member Functions
void	CreateCalculator (const std::string &name) final
void	execute () final
std::string	CalculatorType () const final
void	EvaluateSpecificOptions () final
std::vector< std::string >	CalculatorNames () const final
void	AddCommandLineOptions () final

Private Attributes
std::unique_ptr< xtp::QMTool >	tool_

Additional Inherited Members
Protected Attributes inherited from votca::xtp::XtpApplication
votca::tools::Property	options_
Protected Attributes inherited from votca::tools::Application
std::map< std::string, boost::program_options::options_description >	op_groups_
bool	continue_execution_ = true

Detailed Description

Definition at line 31 of file xtp_tools.cc.

Constructor & Destructor Documentation

XtpTools()

XtpTools::XtpTools ( )

inline

Definition at line 33 of file xtp_tools.cc.

~XtpTools()

XtpTools::~XtpTools ( )

default

Member Function Documentation

AddCommandLineOptions()

void XtpTools::AddCommandLineOptions ( )

finalprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 62 of file xtp_tools.cc.

CalculatorNames()

std::vector< std::string > XtpTools::CalculatorNames ( ) const

inlinefinalprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 49 of file xtp_tools.cc.

CalculatorType()

std::string XtpTools::CalculatorType ( ) const

inlinefinalprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 47 of file xtp_tools.cc.

CreateCalculator()

void XtpTools::CreateCalculator ( const std::string & name )

finalprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 59 of file xtp_tools.cc.

EvaluateSpecificOptions()

void XtpTools::EvaluateSpecificOptions ( )

finalprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 64 of file xtp_tools.cc.

execute()

void XtpTools::execute ( )

finalprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 66 of file xtp_tools.cc.

HelpText()

void XtpTools::HelpText ( std::ostream & out )

inlinefinalvirtual

help text of application without version information

Parameters

out	ostream for output

Implements votca::tools::Application.

Definition at line 39 of file xtp_tools.cc.

ProgramName()

std::string XtpTools::ProgramName ( )

inlinefinalvirtual

program name

Returns

string with program name

overload this function to set the program name

Implements votca::tools::Application.

Definition at line 37 of file xtp_tools.cc.

Member Data Documentation

tool_

std::unique_ptr<xtp::QMTool> XtpTools::tool_

private

Definition at line 56 of file xtp_tools.cc.

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

• xtp/src/tools/xtp_tools.cc