votca 2024.2-dev
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Protected Attributes | |
votca::tools::HistogramNew | 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< 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 | |
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< 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 | |
Protected Member Functions inherited from votca::tools::Application |
Definition at line 29 of file template_serial.cc.
called before the first frame
Reimplemented from votca::csg::CsgApplication.
Definition at line 72 of file template_serial.cc.
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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.
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overrideprivatevirtual |
called after the last frame
Reimplemented from votca::csg::CsgApplication.
Definition at line 77 of file template_serial.cc.
Reimplemented from votca::csg::CsgApplication.
Definition at line 54 of file template_serial.cc.
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inlineoverrideprivatevirtual |
help text of application without version information
out | ostream for output |
Implements votca::tools::Application.
Definition at line 31 of file template_serial.cc.
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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.
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inlineoverrideprivatevirtual |
program name
overload this function to set the program name
Implements votca::tools::Application.
Definition at line 30 of file template_serial.cc.
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protected |
Definition at line 45 of file template_serial.cc.
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protected |
Definition at line 44 of file template_serial.cc.