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protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor Class Reference

#include <UnfoldedStateEnergyCalculatorJobDistributor.hh>

Inheritance diagram for protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor:
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Collaboration diagram for protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor:
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Public Types

typedef std::map< std::string,
utility::vector1
< core::scoring::EMapVector >
>::iterator 
uem_iter
 

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_
 
utility::vector1
< core::scoring::EMapVector
unweighted_energies_
 
std::map< std::string,
utility::vector1
< core::scoring::EMapVector > > 
unweighted_energies_map_
 

Additional Inherited Members

- Static Public Member Functions inherited from protocols::jd2::JobDistributor
static JobDistributorget_instance ()
 
- Protected Member Functions inherited from protocols::jd2::FileSystemJobDistributor
 FileSystemJobDistributor ()
 
virtual void job_succeeded (core::pose::Pose &pose, core::Real run_time)
 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...
 
- 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

ctor

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

dtor (don't put anything in here)

WARNING WARNING! SINGLETONS' DESTRUCTORS ARE NEVER CALLED IN MINI! DO NOT TRY TO PUT THINGS IN THIS FUNCTION! here's a nice link explaining why: http://www.research.ibm.com/designpatterns/pubs/ph-jun96.txt

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)
virtual
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 core::scoring::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_
private

Referenced by go(), and set_energy_terms().

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

Referenced by add_unfolded_energy_data(), and go().


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