XtpParallel Class Reference

Inheritance diagram for XtpParallel:

Collaboration diagram for XtpParallel:

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	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)
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
void	EvaluateSpecificOptions () final
void	execute () final
void	AddCommandLineOptions () final
Protected Member Functions inherited from votca::xtp::XtpApplication
Protected Member Functions inherited from votca::tools::Application

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.

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

• xtp/src/tools/xtp_parallel.cc