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Rosetta 3.5
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Rosetta 3.5
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#include <UnfoldedStateEnergyCalculatorJobDistributor.hh>
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 JobDistributor * | get_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... | |
Definition at line 42 of file UnfoldedStateEnergyCalculatorJobDistributor.hh.
| typedef std::map<std::string, utility::vector1< core::scoring::EMapVector > >::iterator protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::uem_iter |
Definition at line 45 of file UnfoldedStateEnergyCalculatorJobDistributor.hh.
| protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::UnfoldedStateEnergyCalculatorJobDistributor | ( | ) |
ctor is protected; singleton pattern
ctor
Definition at line 48 of file UnfoldedStateEnergyCalculatorJobDistributor.cc.
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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
Definition at line 53 of file UnfoldedStateEnergyCalculatorJobDistributor.cc.
| void protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorJobDistributor::add_unfolded_energy_data | ( | std::string | tlc, |
| core::scoring::EMapVector const & | scores | ||
| ) |
Definition at line 75 of file UnfoldedStateEnergyCalculatorJobDistributor.cc.
References unweighted_energies_map_.
Referenced by protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::apply().
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virtual |
This may be overridden by derived classes. Default implementation invokes go_main.
Reimplemented from protocols::jd2::FileSystemJobDistributor.
Definition at line 58 of file UnfoldedStateEnergyCalculatorJobDistributor.cc.
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.
Definition at line 84 of file UnfoldedStateEnergyCalculatorJobDistributor.cc.
References energy_terms_, and core::scoring::n_score_types.
Referenced by protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::apply().
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private |
Definition at line 70 of file UnfoldedStateEnergyCalculatorJobDistributor.hh.
Referenced by go(), and set_energy_terms().
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private |
Definition at line 73 of file UnfoldedStateEnergyCalculatorJobDistributor.hh.
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private |
Definition at line 76 of file UnfoldedStateEnergyCalculatorJobDistributor.hh.
Referenced by add_unfolded_energy_data(), and go().
1.8.4