Rosetta Protocols  2014.35
Public Types | Public Member Functions | Private Attributes | List of all members
protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor Class Reference

#include <UnfoldedStateEnergyCalculatorJobDistributor.hh>

Public Types

typedef std::map< std::string,
< core::scoring::EMapVector >

Public Member Functions

 UnfoldedStateEnergyCalculatorJobDistributor ()
 ctor is protected; singleton pattern More...
virtual ~UnfoldedStateEnergyCalculatorJobDistributor ()
 dtor (don't put anything in here) More...
virtual void go (protocols::moves::MoverOP mover)
 This may be overridden by derived classes. Default implementation invokes go_main. More...
void add_unfolded_energy_data (std::string tlc, core::scoring::EMapVector const &scores)
void set_energy_terms (core::scoring::EMapVector const &weights)
- Public Member Functions inherited from protocols::jd2::FileSystemJobDistributor
virtual ~FileSystemJobDistributor ()
virtual void restart ()
virtual core::Size get_new_job_id ()
 Return 0 to signal that no available jobs remain. Otherwise return an index into the Jobs object. More...
virtual void mark_current_job_id_for_repetition ()
 this function is called whenever a job "soft-fails" and needs to be retried. Generally it should ensure that the subsequent call to obtain_new_job returns this job over again. More...
virtual void remove_bad_inputs_from_job_list ()
virtual void current_job_finished ()
- Public Member Functions inherited from protocols::jd2::JobDistributor
virtual ~JobDistributor ()
void go (protocols::moves::MoverOP mover, JobOutputterOP jo)
 invokes go, after setting JobOutputter More...
JobOP current_job () const
 Movers may ask their controlling job distributor for information about the current job. They may also load information into this job for later output. More...
std::string current_output_name () const
 Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter. More...
JobOutputterOP job_outputter () const
 Movers (or derived classes) may ask for the JobOutputter. More...
void set_job_outputter (const JobOutputterOP &new_job_outputter)
 Movers (or derived classes) may ask for the JobOutputter. More...
JobInputterOP job_inputter () const
 JobInputter access. More...
virtual void mpi_finalize (bool finalize)
 should the go() function call MPI_finalize()? It probably should, this is true by default. More...
JobInputterInputSource::Enum job_inputter_input_source () const
 The input source for the current JobInputter. More...
core::Size total_nr_jobs () const
core::Size current_job_id () const
 integer access - which job are we on? More...
std::string get_current_batch () const
 what is the current batch ? — name refers to the flag-file used for this batch More...
virtual void add_batch (std::string const &, core::Size id=0)
 add a new batch ( name will be interpreted as flag_file ) More...
core::Size current_batch_id () const
 what is the current batch number ? — refers to position in batches_ More...

Private Attributes

core::scoring::EMapVector energy_terms_
< core::scoring::EMapVector
std::map< std::string,
< core::scoring::EMapVector > > 

Additional Inherited Members

- Static Public Member Functions inherited from protocols::jd2::JobDistributor
static JobDistributorget_instance ()
 static function to get the instance of ( pointer to) this singleton class More...
- Protected Member Functions inherited from protocols::jd2::FileSystemJobDistributor
 FileSystemJobDistributor ()
virtual void job_succeeded (core::pose::Pose &pose, core::Real run_time, std::string const &tag)
 This function is called upon a successful job completion; it has been virtualized so BOINC and MPI can delay/protect output base implementation is just a call to the job outputter. More...
virtual void job_failed (core::pose::Pose &pose, bool will_retry)
 This function is called when we five up on the job; it has been virtualized so BOINC and MPI can delay/protect output base implementation is just a call to the job outputter. More...
virtual void handle_interrupt ()
 This function got called when job is not yet finished and got termitated abnormaly (ctrl-c, kill etc). when implimenting it in subclasses make sure to delete all in-progress-data that your job spawn. More...
- Protected Member Functions inherited from protocols::jd2::JobDistributor
 JobDistributor ()
 Singleton instantiation pattern; Derived classes will call default ctor, but their ctors, too must be protected (and the JDFactory must be their friend.) More...
 JobDistributor (bool empty)
 MPIArchiveJobDistributor starts with an empty job-list... More...
void go_main (protocols::moves::MoverOP mover)
 Non-virtual get-job, run it, & output loop. This function is pretty generic and your subclass may be able to use it. It is NOT virtual - this implementation can be shared by (at least) the simple FileSystemJobDistributor, the MPIWorkPoolJobDistributor, and the MPIWorkPartitionJobDistributor. Do not feel that you need to use it as-is in your class - but DO plan on implementing all its functionality! More...
Jobs const & get_jobs () const
 Read access to private data for derived classes. More...
void mark_job_as_completed (core::Size job_id, core::Real run_time)
 Jobs is the container of Job objects need non-const to mark Jobs as completed on Master in MPI-JobDistributor. More...
void mark_job_as_bad (core::Size job_id)
ParserOP parser () const
 Parser access. More...
void begin_critical_section ()
void end_critical_section ()
bool obtain_new_job (bool re_consider_current_job=false)
 this function updates the current_job_id_ and current_job_ fields. The boolean return states whether or not a new job was obtained (if false, quit distributing!) More...
virtual void job_succeeded_additional_output (core::pose::Pose &pose, std::string const &tag)
 This function is called upon a successful job completion if there are additional poses generated by the mover base implementation is just a call to the job outputter. More...
virtual void note_all_jobs_finished ()
 Derived classes are allowed to perform some kind of action when the job distributor runs out of jobs to execute. Called inside go_main. Default implementation is a no-op. More...
void clear_current_job_output ()
void set_batch_id (core::Size setting)
 set current_batch_id — eg for slave nodes in MPI framework More...
virtual bool next_batch ()
 switch current_batch_id_ to next batch More...
virtual void batch_underflow ()
 if end of batches_ reached via next_batch or set_batch_id ... More...
virtual void load_new_batch ()
 called by next_batch() or set_batch_id() to switch-over and restart JobDistributor on new batch More...
core::Size nr_batches () const
 how many batches are in our list ... this can change dynamically More...
std::string const & batch (core::Size batch_id)
 give name of batch with given id More...
- Static Protected Member Functions inherited from protocols::jd2::JobDistributor
static void setup_system_signal_handler (void(*prev_fn)(int)=jd2_signal_handler)
 Setting up callback function that will be call when our process is about to terminate. More...
static void remove_system_signal_handler ()
 Set signal handler back to default state. More...
static void jd2_signal_handler (int Signal)
 Default callback function for signal handling. More...

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::UnfoldedStateEnergyCalculatorJobDistributor ( )

ctor is protected; singleton pattern


protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::~UnfoldedStateEnergyCalculatorJobDistributor ( )

dtor (don't put anything in here)


Member Function Documentation

void protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::add_unfolded_energy_data ( std::string  tlc,
core::scoring::EMapVector const &  scores 
void protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::go ( protocols::moves::MoverOP  mover)

This may be overridden by derived classes. Default implementation invokes go_main.

Reimplemented from protocols::jd2::FileSystemJobDistributor.

References protocols::unfolded_state_energy_calculator::calc_all_averages(), energy_terms_, protocols::jd2::JobDistributor::go_main(), protocols::TR, and unweighted_energies_map_.

void protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::set_energy_terms ( core::scoring::EMapVector const &  weights)

Set the the internal EMapVector that contains the terms in the energy function used to score the fragments. Also if a term has a non-zero weight, set the weight to 1. This allows us to use the EMapVector output weighted functions.

References energy_terms_, and n_score_types.

Referenced by protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::apply().

Member Data Documentation

core::scoring::EMapVector protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::energy_terms_

Referenced by go(), and set_energy_terms().

utility::vector1< core::scoring::EMapVector > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::unweighted_energies_
std::map<std::string, utility::vector1< core::scoring::EMapVector > > protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::unweighted_energies_map_

Referenced by add_unfolded_energy_data(), and go().

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