Inheritance diagram for CsgDensityApp:

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Collaboration diagram for CsgDensityApp:

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Protected Member Functions
void	WriteDensity (votca::Index nframes, const string &suffix="")

Protected Attributes
string	filter_
string	out_
votca::tools::Histogram	dist_
string	dens_type_
double	rmax_
votca::Index	nbin_
double	scale_
double	step_
votca::Index	frames_
votca::Index	nblock_
votca::Index	block_length_
Eigen::Vector3d	ref_
Eigen::Vector3d	axis_
string	axisname_
string	molname_
double	area_
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

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	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
void	EndEvaluate () override
	called after the last frame
void	BeginEvaluate (Topology top, Topology top_atom) override
	called before the first frame
void	EvalConfiguration (Topology top, Topology top_ref) override
bool	EvaluateOptions () override
	Process command line options.

Additional Inherited Members
Public Member Functions inherited from votca::csg::CsgApplication
	CsgApplication ()=default
	~CsgApplication () override=default
void	Run (void) override
	Main body of application.
void	ShowHelpText (std::ostream &out) override
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)
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	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 29 of file csg_density.cc.

Member Function Documentation

◆ BeginEvaluate()

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

overrideprivatevirtual

called before the first frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 80 of file csg_density.cc.

◆ DoMapping()

bool CsgDensityApp::DoMapping ( void )

inlineoverrideprivatevirtual

overload and return true to enable mapping command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 41 of file csg_density.cc.

◆ DoMappingDefault()

bool CsgDensityApp::DoMappingDefault ( void )

inlineoverrideprivatevirtual

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

Reimplemented from votca::csg::CsgApplication.

Definition at line 42 of file csg_density.cc.

◆ DoTrajectory()

bool CsgDensityApp::DoTrajectory ( void )

inlineoverrideprivatevirtual

overload and return true to enable trajectory command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 40 of file csg_density.cc.

◆ EndEvaluate()

void CsgDensityApp::EndEvaluate ( )

overrideprivatevirtual

called after the last frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 227 of file csg_density.cc.

◆ EvalConfiguration()

void CsgDensityApp::EvalConfiguration	(	Topology *	top,
		Topology *	top_ref )

overrideprivatevirtual

Reimplemented from votca::csg::CsgApplication.

Definition at line 139 of file csg_density.cc.

◆ EvaluateOptions()

bool CsgDensityApp::EvaluateOptions ( )

inlineoverrideprivatevirtual

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 49 of file csg_density.cc.

◆ HelpText()

void CsgDensityApp::HelpText ( ostream & out )

inlineoverrideprivatevirtual

help text of application without version information

Parameters

out	ostream for output

Implements votca::tools::Application.

Definition at line 31 of file csg_density.cc.

◆ Initialize()

void CsgDensityApp::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 234 of file csg_density.cc.

◆ ProgramName()

string CsgDensityApp::ProgramName ( )

inlineoverrideprivatevirtual

program name

Returns: string with program name

overload this function to set the program name

Implements votca::tools::Application.

Definition at line 30 of file csg_density.cc.

◆ WriteDensity()

void CsgDensityApp::WriteDensity	(	votca::Index	nframes,
		const string &	suffix = "" )

protected

Definition at line 181 of file csg_density.cc.

Member Data Documentation

◆ area_

double CsgDensityApp::area_

protected

Definition at line 71 of file csg_density.cc.

◆ axis_

Eigen::Vector3d CsgDensityApp::axis_

protected

Definition at line 68 of file csg_density.cc.

◆ axisname_

string CsgDensityApp::axisname_

protected

Definition at line 69 of file csg_density.cc.

◆ block_length_

votca::Index CsgDensityApp::block_length_

protected

Definition at line 66 of file csg_density.cc.

◆ dens_type_

string CsgDensityApp::dens_type_

protected

Definition at line 59 of file csg_density.cc.

◆ dist_

votca::tools::Histogram CsgDensityApp::dist_

protected

Definition at line 58 of file csg_density.cc.

◆ filter_

string CsgDensityApp::filter_

protected

Definition at line 57 of file csg_density.cc.

◆ frames_

votca::Index CsgDensityApp::frames_

protected

Definition at line 64 of file csg_density.cc.

◆ molname_

string CsgDensityApp::molname_

protected

Definition at line 70 of file csg_density.cc.

◆ nbin_

votca::Index CsgDensityApp::nbin_

protected

Definition at line 61 of file csg_density.cc.

◆ nblock_

votca::Index CsgDensityApp::nblock_

protected

Definition at line 65 of file csg_density.cc.

◆ out_

string CsgDensityApp::out_

protected

Definition at line 57 of file csg_density.cc.

◆ ref_

Eigen::Vector3d CsgDensityApp::ref_

protected

Definition at line 67 of file csg_density.cc.

◆ rmax_

double CsgDensityApp::rmax_

protected

Definition at line 60 of file csg_density.cc.

◆ scale_

double CsgDensityApp::scale_

protected

Definition at line 62 of file csg_density.cc.

◆ step_

double CsgDensityApp::step_

protected

Definition at line 63 of file csg_density.cc.

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

csg/src/tools/csg_density.cc

Protected Member Functions

Protected Attributes

Private Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

◆ BeginEvaluate()

◆ DoMapping()

◆ DoMappingDefault()

◆ DoTrajectory()

◆ EndEvaluate()

◆ EvalConfiguration()

◆ EvaluateOptions()

◆ HelpText()

◆ Initialize()

◆ ProgramName()

◆ WriteDensity()

Member Data Documentation

◆ area_

◆ axis_

◆ axisname_

◆ block_length_

◆ dens_type_

◆ dist_

◆ filter_

◆ frames_

◆ molname_

◆ nbin_

◆ nblock_

◆ out_

◆ ref_

◆ rmax_

◆ scale_

◆ step_