votca 2025.1-dev
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CsgTestApp Class Reference
Inheritance diagram for CsgTestApp:
Collaboration diagram for CsgTestApp:

Protected Attributes

votca::tools::Histogram rdf_
double cut_off_
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< TrajectoryReadertraj_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
void BeginEvaluate (Topology *top, Topology *top_ref) override
 called before the first frame
void EvalConfiguration (Topology *top, Topology *top_ref) override
void EndEvaluate () override
 called after the last frame

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 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< WorkerForkWorker (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 template_serial.cc.

Member Function Documentation

◆ BeginEvaluate()

void CsgTestApp::BeginEvaluate ( Topology * top,
Topology * top_ref )
overrideprivatevirtual

called before the first frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 72 of file template_serial.cc.

◆ DoTrajectory()

bool CsgTestApp::DoTrajectory ( void )
inlineoverrideprivatevirtual

overload and return true to enable trajectory command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 37 of file template_serial.cc.

◆ EndEvaluate()

void CsgTestApp::EndEvaluate ( )
overrideprivatevirtual

called after the last frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 77 of file template_serial.cc.

◆ EvalConfiguration()

void CsgTestApp::EvalConfiguration ( Topology * top,
Topology * top_ref )
overrideprivatevirtual

Reimplemented from votca::csg::CsgApplication.

Definition at line 54 of file template_serial.cc.

◆ HelpText()

void CsgTestApp::HelpText ( ostream & out)
inlineoverrideprivatevirtual

help text of application without version information

Parameters
outostream for output

Implements votca::tools::Application.

Definition at line 31 of file template_serial.cc.

◆ Initialize()

void CsgTestApp::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 65 of file template_serial.cc.

◆ ProgramName()

string CsgTestApp::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 template_serial.cc.

Member Data Documentation

◆ cut_off_

double CsgTestApp::cut_off_
protected

Definition at line 45 of file template_serial.cc.

◆ rdf_

votca::tools::Histogram CsgTestApp::rdf_
protected

Definition at line 44 of file template_serial.cc.


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