Inheritance diagram for CsgPartialRdfApp:

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Collaboration diagram for CsgPartialRdfApp:

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Public Member Functions
	CsgPartialRdfApp ()

string	ProgramName () override
	program name

void	HelpText (ostream &out) override
	help text of application without version information

bool	DoTrajectory () override
	overload and return true to enable trajectory command line options

bool	DoMapping () override
	overload and return true to enable mapping command line options

bool	DoMappingDefault (void) override
	if DoMapping is true, will by default require mapping or not

bool	DoThreaded () override

bool	SynchronizeThreads () override

void	Initialize () override
	Initialize application data.

bool	EvaluateOptions () override
	Process command line options.

void	BeginEvaluate (Topology top, Topology top_ref) override
	called before the first frame

void	EndEvaluate () override
	called after the last frame

std::unique_ptr< CsgApplication::Worker >	ForkWorker () override

void	MergeWorker (CsgApplication::Worker *worker) override

Public Member Functions inherited from votca::csg::CsgApplication
	CsgApplication ()=default

	~CsgApplication () override=default

void	Initialize () override
	Initialize application data.

bool	EvaluateOptions () override
	Process command line options.

void	Run (void) override
	Main body of application.

void	ShowHelpText (std::ostream &out) override

virtual bool	DoMapping (void)
	overload and return true to enable mapping command line options

virtual bool	DoMappingDefault (void)
	if DoMapping is true, will by default require mapping or not

virtual bool	DoTrajectory (void)
	overload and return true to enable trajectory command line options

virtual bool	DoThreaded (void)

virtual bool	SynchronizeThreads (void)

virtual bool	NeedsTopology (void)
	if topology is always needed

virtual bool	EvaluateTopology (Topology , Topology =nullptr)
	called after topology was loaded

void	AddObserver (CGObserver *observer)

virtual void	BeginEvaluate (Topology top, Topology top_ref=nullptr)
	called before the first frame

virtual void	EndEvaluate ()
	called after the last frame

virtual void	EvalConfiguration (Topology top, Topology top_ref=nullptr)

bool	ProcessData (Worker *worker)
	Gets frames from TrajectoryReader in an ordered way and, if successful, calls Worker::EvalConfiguration for that frame.

virtual std::unique_ptr< Worker >	ForkWorker (void)

virtual void	MergeWorker (Worker *worker)

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

Public Attributes
RDFCalculator	rdf_calculator_

votca::Index	write_every_

Additional Inherited Members
virtual void	ShowHelpText (std::ostream &out)

Protected Attributes inherited from votca::csg::CsgApplication
std::list< CGObserver * >	observers_

bool	do_mapping_

std::vector< std::unique_ptr< Worker > >	myWorkers_

Index	nframes_

bool	is_first_frame_

Index	nthreads_

tools::Mutex	nframesMutex_

tools::Mutex	traj_readerMutex_

std::vector< std::unique_ptr< tools::Mutex > >	threadsMutexesIn_
	stores Mutexes used to impose order for input

std::vector< std::unique_ptr< tools::Mutex > >	threadsMutexesOut_
	stores Mutexes used to impose order for output

std::unique_ptr< TrajectoryReader >	traj_reader_

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 43 of file partial_rdf.cc.

Constructor & Destructor Documentation

◆ CsgPartialRdfApp()

CsgPartialRdfApp::CsgPartialRdfApp ( )

inline

Definition at line 45 of file partial_rdf.cc.

Member Function Documentation

◆ BeginEvaluate()

void CsgPartialRdfApp::BeginEvaluate	(	Topology *	top,
		Topology *	top_ref
	)

overridevirtual

called before the first frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 116 of file partial_rdf.cc.

◆ DoMapping()

bool CsgPartialRdfApp::DoMapping ( void )

inlineoverridevirtual

overload and return true to enable mapping command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 51 of file partial_rdf.cc.

◆ DoMappingDefault()

bool CsgPartialRdfApp::DoMappingDefault ( void )

inlineoverridevirtual

if DoMapping is true, will by default require mapping or not

Reimplemented from votca::csg::CsgApplication.

Definition at line 52 of file partial_rdf.cc.

◆ DoThreaded()

bool CsgPartialRdfApp::DoThreaded ( void )

inlineoverridevirtual

Reimplemented from votca::csg::CsgApplication.

Definition at line 53 of file partial_rdf.cc.

◆ DoTrajectory()

bool CsgPartialRdfApp::DoTrajectory ( void )

inlineoverridevirtual

overload and return true to enable trajectory command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 50 of file partial_rdf.cc.

◆ EndEvaluate()

void CsgPartialRdfApp::EndEvaluate ( )

overridevirtual

called after the last frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 120 of file partial_rdf.cc.

◆ EvaluateOptions()

bool CsgPartialRdfApp::EvaluateOptions ( )

overridevirtual

Process command line options.

Returns: true to continue, false to stop

EvaluateOptions is called by Run after parsing the command line. return true if everything is ok, false to stop and show help text.

Reimplemented from votca::csg::CsgApplication.

Definition at line 92 of file partial_rdf.cc.

◆ ForkWorker()

std::unique_ptr< CsgApplication::Worker > CsgPartialRdfApp::ForkWorker ( void )

inlineoverridevirtual

User is required to overload ForkWorker and initialize workers.

Returns: worker

Reimplemented from votca::csg::CsgApplication.

Definition at line 61 of file partial_rdf.cc.

◆ HelpText()

void CsgPartialRdfApp::HelpText ( ostream & out )

overridevirtual

help text of application without version information

Parameters

out	ostream for output

Implements votca::tools::Application.

Definition at line 74 of file partial_rdf.cc.

◆ Initialize()

void CsgPartialRdfApp::Initialize ( )

overridevirtual

Initialize application data.

Initialize is called by run before parsing the command line. All necessary command line arguments can be added here

Reimplemented from votca::csg::CsgApplication.

Definition at line 78 of file partial_rdf.cc.

◆ MergeWorker()

void CsgPartialRdfApp::MergeWorker ( CsgApplication::Worker * worker )

inlineoverridevirtual

User is required to overload MergeWorker and merge data from each worker.

Parameters

worker

Reimplemented from votca::csg::CsgApplication.

Definition at line 65 of file partial_rdf.cc.

◆ ProgramName()

string CsgPartialRdfApp::ProgramName ( )

inlineoverridevirtual

program name

Returns: string with program name

overload this function to set the program name

Implements votca::tools::Application.

Definition at line 47 of file partial_rdf.cc.

◆ SynchronizeThreads()

bool CsgPartialRdfApp::SynchronizeThreads ( void )

inlineoverridevirtual

Reimplemented from votca::csg::CsgApplication.

Definition at line 54 of file partial_rdf.cc.

Member Data Documentation

◆ rdf_calculator_

RDFCalculator CsgPartialRdfApp::rdf_calculator_

Definition at line 70 of file partial_rdf.cc.

◆ write_every_

votca::Index CsgPartialRdfApp::write_every_

Definition at line 71 of file partial_rdf.cc.

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

csg/src/csgapps/partial_rdf/partial_rdf.cc

Public Member Functions

Public Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ CsgPartialRdfApp()

Member Function Documentation

◆ BeginEvaluate()

◆ DoMapping()

◆ DoMappingDefault()

◆ DoThreaded()

◆ DoTrajectory()

◆ EndEvaluate()

◆ EvaluateOptions()

◆ ForkWorker()

◆ HelpText()

◆ Initialize()

◆ MergeWorker()

◆ ProgramName()

◆ SynchronizeThreads()

Member Data Documentation

◆ rdf_calculator_

◆ write_every_