Inheritance diagram for XtpParallel:

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Collaboration diagram for XtpParallel:

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Public Member Functions
	XtpParallel ()=default

	~XtpParallel ()=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::StateApplication
	StateApplication ()=default

	~StateApplication () override=default

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	ProgramName ()=0
	program name

virtual std::string	VersionString ()
	version string of application

virtual void	HelpText (std::ostream &out)=0
	help text of application without version information

virtual void	Initialize ()=0
	Initialize application data.

virtual bool	EvaluateOptions ()=0
	Process command line options.

void	CheckRequired (const std::string &option_name, const std::string &error_msg="")
	Check weather required option is set.

virtual void	Run ()=0
	Main body of application.

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)

void	ConfigCalculator ()

bool	savetoStateFile () const final

bool	EvaluateFrame (votca::xtp::Topology &top) final

std::string	CalculatorType () const

void	CheckOptions () final

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

void	AddCommandLineOpt () final

Protected Member Functions inherited from votca::xtp::StateApplication
virtual bool	savetoStateFile () const =0

virtual void	ConfigCalculator ()=0

virtual bool	EvaluateFrame (Topology &top)=0

void	EvaluateSpecificOptions () final

virtual void	CheckOptions ()=0

void	execute () final

void	AddCommandLineOptions () final

virtual void	AddCommandLineOpt ()=0

virtual void	execute ()=0

virtual std::string	CalculatorType () const =0

virtual void	EvaluateSpecificOptions ()=0

virtual std::vector< std::string >	CalculatorNames () const =0

virtual void	CreateCalculator (const std::string &name)=0

virtual void	AddCommandLineOptions ()=0

virtual void	ShowHelpText (std::ostream &out)

Private Attributes
bool	generate_input_ = false

bool	run_ = false

bool	import_ = false

xtp::ProgObserver< std::vector< xtp::Job > >	progObs_

std::unique_ptr< xtp::JobCalculator >	calc_ = nullptr

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 28 of file xtp_parallel.cc.

Constructor & Destructor Documentation

◆ XtpParallel()

XtpParallel::XtpParallel ( )

default

◆ ~XtpParallel()

XtpParallel::~XtpParallel ( )

default

Member Function Documentation

◆ AddCommandLineOpt()

void XtpParallel::AddCommandLineOpt ( )

finalprotectedvirtual

Implements votca::xtp::StateApplication.

Definition at line 60 of file xtp_parallel.cc.

◆ CalculatorNames()

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

inlineprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 46 of file xtp_parallel.cc.

◆ CalculatorType()

std::string XtpParallel::CalculatorType ( ) const

inlineprotectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 44 of file xtp_parallel.cc.

◆ CheckOptions()

void XtpParallel::CheckOptions ( )

finalprotectedvirtual

Implements votca::xtp::StateApplication.

Definition at line 76 of file xtp_parallel.cc.

◆ ConfigCalculator()

void XtpParallel::ConfigCalculator ( )

protectedvirtual

Implements votca::xtp::StateApplication.

Definition at line 87 of file xtp_parallel.cc.

◆ CreateCalculator()

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

protectedvirtual

Implements votca::xtp::XtpApplication.

Definition at line 83 of file xtp_parallel.cc.

◆ EvaluateFrame()

bool XtpParallel::EvaluateFrame ( votca::xtp::Topology & top )

finalprotectedvirtual

Implements votca::xtp::StateApplication.

Definition at line 98 of file xtp_parallel.cc.

◆ HelpText()

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

inlinefinalvirtual

help text of application without version information

Parameters

out	ostream for output

Implements votca::tools::Application.

Definition at line 34 of file xtp_parallel.cc.

◆ ProgramName()

std::string XtpParallel::ProgramName ( )

inlinefinalvirtual

program name

Returns: string with program name

overload this function to set the program name

Implements votca::tools::Application.

Definition at line 32 of file xtp_parallel.cc.

◆ savetoStateFile()

bool XtpParallel::savetoStateFile ( ) const

inlinefinalprotectedvirtual

Implements votca::xtp::StateApplication.

Definition at line 41 of file xtp_parallel.cc.

Member Data Documentation

◆ calc_

std::unique_ptr<xtp::JobCalculator> XtpParallel::calc_ = nullptr

private

Definition at line 57 of file xtp_parallel.cc.

◆ generate_input_

bool XtpParallel::generate_input_ = false

private

Definition at line 53 of file xtp_parallel.cc.

◆ import_

bool XtpParallel::import_ = false

private

Definition at line 55 of file xtp_parallel.cc.

◆ progObs_

xtp::ProgObserver<std::vector<xtp::Job> > XtpParallel::progObs_

private

Definition at line 56 of file xtp_parallel.cc.

◆ run_

bool XtpParallel::run_ = false

private

Definition at line 54 of file xtp_parallel.cc.

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

xtp/src/tools/xtp_parallel.cc

Public Member Functions

Protected Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ XtpParallel()

◆ ~XtpParallel()

Member Function Documentation

◆ AddCommandLineOpt()

◆ CalculatorNames()

◆ CalculatorType()

◆ CheckOptions()

◆ ConfigCalculator()

◆ CreateCalculator()

◆ EvaluateFrame()

◆ HelpText()

◆ ProgramName()

◆ savetoStateFile()

Member Data Documentation

◆ calc_

◆ generate_input_

◆ import_

◆ progObs_

◆ run_