Inheritance diagram for OrientCorrApp:

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Collaboration diagram for OrientCorrApp:

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Static Public Member Functions
static std::unique_ptr< NBList >	CreateNBSearch ()

Protected Attributes
votca::tools::Histogram	cor_
votca::tools::Histogram	count_
votca::tools::Histogram	cor_excl_
votca::tools::Histogram	count_excl_
double	cut_off_
votca::Index	nbins_
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

Static Protected Attributes
static string	nbmethod_

Private Member Functions
string	ProgramName () override
	program name
void	HelpText (ostream &out) override
	help text of application without version information
void	Initialize () override
	Initialize application data.
bool	DoTrajectory () override
	overload and return true to enable trajectory command line options
bool	DoThreaded () override
bool	SynchronizeThreads () override
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 (void) override
void	MergeWorker (Worker *worker) override

Additional Inherited Members
Public Member Functions inherited from votca::csg::CsgApplication
	CsgApplication ()=default
	~CsgApplication () override=default
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	NeedsTopology (void)
	if topology is always needed
virtual bool	EvaluateTopology (Topology , Topology =nullptr)
	called after topology was loaded
void	AddObserver (CGObserver *observer)
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.
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

Detailed Description

Definition at line 34 of file orientcorr.cc.

Member Function Documentation

◆ BeginEvaluate()

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

overrideprivatevirtual

called before the first frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 145 of file orientcorr.cc.

◆ CreateNBSearch()

std::unique_ptr< NBList > OrientCorrApp::CreateNBSearch ( )

static

Definition at line 131 of file orientcorr.cc.

◆ DoThreaded()

bool OrientCorrApp::DoThreaded ( void )

inlineoverrideprivatevirtual

Reimplemented from votca::csg::CsgApplication.

Definition at line 55 of file orientcorr.cc.

◆ DoTrajectory()

bool OrientCorrApp::DoTrajectory ( void )

inlineoverrideprivatevirtual

overload and return true to enable trajectory command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 53 of file orientcorr.cc.

◆ EndEvaluate()

void OrientCorrApp::EndEvaluate ( )

overrideprivatevirtual

called after the last frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 253 of file orientcorr.cc.

◆ ForkWorker()

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

overrideprivatevirtual

User is required to overload ForkWorker and initialize workers.

Returns: worker

Reimplemented from votca::csg::CsgApplication.

Definition at line 153 of file orientcorr.cc.

◆ HelpText()

void OrientCorrApp::HelpText ( ostream & out )

inlineoverrideprivatevirtual

help text of application without version information

Parameters

out	ostream for output

Implements votca::tools::Application.

Definition at line 38 of file orientcorr.cc.

◆ Initialize()

void OrientCorrApp::Initialize ( )

overrideprivatevirtual

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 114 of file orientcorr.cc.

◆ MergeWorker()

void OrientCorrApp::MergeWorker ( Worker * worker )

overrideprivatevirtual

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

Parameters

worker

Reimplemented from votca::csg::CsgApplication.

Definition at line 244 of file orientcorr.cc.

◆ ProgramName()

string OrientCorrApp::ProgramName ( )

inlineoverrideprivatevirtual

program name

Returns: string with program name

overload this function to set the program name

Implements votca::tools::Application.

Definition at line 36 of file orientcorr.cc.

◆ SynchronizeThreads()

bool OrientCorrApp::SynchronizeThreads ( void )

inlineoverrideprivatevirtual

Reimplemented from votca::csg::CsgApplication.

Definition at line 57 of file orientcorr.cc.

Member Data Documentation

◆ cor_

votca::tools::Histogram OrientCorrApp::cor_

protected

Definition at line 74 of file orientcorr.cc.

◆ cor_excl_

votca::tools::Histogram OrientCorrApp::cor_excl_

protected

Definition at line 76 of file orientcorr.cc.

◆ count_

votca::tools::Histogram OrientCorrApp::count_

protected

Definition at line 75 of file orientcorr.cc.

◆ count_excl_

votca::tools::Histogram OrientCorrApp::count_excl_

protected

Definition at line 77 of file orientcorr.cc.

◆ cut_off_

double OrientCorrApp::cut_off_

protected

Definition at line 79 of file orientcorr.cc.

◆ nbins_

votca::Index OrientCorrApp::nbins_

protected

Definition at line 80 of file orientcorr.cc.

◆ nbmethod_

string OrientCorrApp::nbmethod_

staticprotected

Definition at line 78 of file orientcorr.cc.

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

csg/src/csgapps/orientcorr/orientcorr.cc

Static Public Member Functions

Protected Attributes

Static Protected Attributes

Private Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ BeginEvaluate()

◆ CreateNBSearch()

◆ DoThreaded()

◆ DoTrajectory()

◆ EndEvaluate()

◆ ForkWorker()

◆ HelpText()

◆ Initialize()

◆ MergeWorker()

◆ ProgramName()

◆ SynchronizeThreads()

Member Data Documentation

◆ cor_

◆ cor_excl_

◆ count_

◆ count_excl_

◆ cut_off_

◆ nbins_

◆ nbmethod_