votca 2024.2-dev
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CsgMapApp Class Reference
Inheritance diagram for CsgMapApp:
Collaboration diagram for CsgMapApp:

Public Member Functions

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
 
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 EvalConfiguration (Topology *top, Topology *top_ref) override
 
void EndEvaluate () override
 called after the last frame
 
- 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 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
 

Protected Attributes

std::unique_ptr< TrajectoryWriterwriter_
 
bool do_hybrid_
 
bool do_vel_
 
bool do_force_
 
- 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
 

Additional Inherited Members

- Protected Member Functions inherited from votca::tools::Application

Detailed Description

Definition at line 32 of file csg_map.cc.

Member Function Documentation

◆ BeginEvaluate()

void CsgMapApp::BeginEvaluate ( Topology * top,
Topology * top_ref )
overridevirtual

called before the first frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 171 of file csg_map.cc.

◆ DoMapping()

bool CsgMapApp::DoMapping ( void )
inlineoverridevirtual

overload and return true to enable mapping command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 55 of file csg_map.cc.

◆ DoTrajectory()

bool CsgMapApp::DoTrajectory ( void )
inlineoverridevirtual

overload and return true to enable trajectory command line options

Reimplemented from votca::csg::CsgApplication.

Definition at line 54 of file csg_map.cc.

◆ EndEvaluate()

void CsgMapApp::EndEvaluate ( )
inlineoverridevirtual

called after the last frame

Reimplemented from votca::csg::CsgApplication.

Definition at line 162 of file csg_map.cc.

◆ EvalConfiguration()

void CsgMapApp::EvalConfiguration ( Topology * top,
Topology * top_ref )
inlineoverridevirtual

Reimplemented from votca::csg::CsgApplication.

Definition at line 84 of file csg_map.cc.

◆ EvaluateOptions()

bool CsgMapApp::EvaluateOptions ( )
inlineoverridevirtual

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 76 of file csg_map.cc.

◆ HelpText()

void CsgMapApp::HelpText ( ostream & out)
inlineoverridevirtual

help text of application without version information

Parameters
outostream for output

Implements votca::tools::Application.

Definition at line 35 of file csg_map.cc.

◆ Initialize()

void CsgMapApp::Initialize ( )
inlineoverridevirtual

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 57 of file csg_map.cc.

◆ ProgramName()

string CsgMapApp::ProgramName ( )
inlineoverridevirtual

program name

Returns
string with program name

overload this function to set the program name

Implements votca::tools::Application.

Definition at line 34 of file csg_map.cc.

Member Data Documentation

◆ do_force_

bool CsgMapApp::do_force_
protected

Definition at line 168 of file csg_map.cc.

◆ do_hybrid_

bool CsgMapApp::do_hybrid_
protected

Definition at line 166 of file csg_map.cc.

◆ do_vel_

bool CsgMapApp::do_vel_
protected

Definition at line 167 of file csg_map.cc.

◆ writer_

std::unique_ptr<TrajectoryWriter> CsgMapApp::writer_
protected

Definition at line 165 of file csg_map.cc.


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