Rosetta
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#include <RNA_CSA_JobDistributor.hh>
Public Member Functions | |
RNA_CSA_JobDistributor (stepwise::monte_carlo::StepWiseMonteCarloOP stepwise_monte_carlo, std::string const &silent_file, core::Size const nstruct, core::Size const csa_bank_size, core::Real const csa_rmsd, bool const output_round_silent_files, bool const annealing) | |
RNA_CSA_JobDistributor (protocols::rna::denovo::RNA_FragmentMonteCarloOP rna_fragment_monte_carlo, std::string const &silent_file, core::Size const nstruct, core::Size const csa_bank_size, core::Real const csa_rmsd, bool const output_round_silent_files, bool const annealing) | |
~RNA_CSA_JobDistributor () override | |
void | apply (core::pose::Pose &pose) override |
Main Method. More... | |
void | initialize (core::pose::Pose const &pose) override |
bool | has_another_job () override |
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RNA_JobDistributor (stepwise::monte_carlo::StepWiseMonteCarloOP stepwise_monte_carlo, std::string const &silent_file, core::Size const nstruct) | |
RNA_JobDistributor (rna::denovo::RNA_FragmentMonteCarloOP rna_fragment_monte_carlo, std::string const &silent_file, core::Size const nstruct) | |
std::string | get_name () const override |
Each derived class must specify its name. The class name. More... | |
void | set_superimpose_over_all (bool const &setting) |
bool | superimpose_over_all () const |
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Mover () | |
virtual MoverOP | create () |
MoverCOP | get_self_ptr () const |
MoverOP | get_self_ptr () |
MoverCAP | get_self_weak_ptr () const |
MoverAP | get_self_weak_ptr () |
Mover (std::string const &type_name) | |
sets the type for a mover; name_ has been removed (2010/05/14) More... | |
virtual void | test_move (Pose &pose) |
: Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More... | |
virtual MoverOP | clone () const |
Return a clone of the Mover object. More... | |
virtual bool | reinitialize_for_each_job () const |
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on each use. More... | |
virtual bool | reinitialize_for_new_input () const |
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose). More... | |
virtual MoverOP | fresh_instance () const |
Generates a new Mover object freshly created with the default ctor. More... | |
MoverStatus | get_last_move_status () const |
end parser interface, start Job Distributor interface///////////// More... | |
void | reset_status () |
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More... | |
virtual core::pose::PoseOP | get_additional_output () |
Mechanism by which a mover may return multiple output poses from a single input pose. More... | |
void | set_type (std::string const &setting) |
Set the 'type' string. More... | |
std::string | get_type () const |
void | type (const std::string &type_in) |
Set the 'type' string. More... | |
std::string const & | type () const |
Get the set 'type' string. More... | |
virtual void | set_input_pose (PoseCOP pose) |
setter for poses contained for rms More... | |
virtual void | set_native_pose (PoseCOP pose) |
setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More... | |
PoseCOP | get_input_pose () const |
PoseCOP | get_native_pose () const |
virtual void | parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) |
Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
void | set_current_job (protocols::jobdist::BasicJobCOP job) |
jobdist::BasicJobCOP | get_current_job () const |
virtual void | set_current_tag (std::string const &new_tag) |
std::string | get_current_tag () const |
A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More... | |
virtual void | show (std::ostream &output=std::cout) const |
Outputs details about the Mover, including current settings. More... | |
virtual core::Real | last_proposal_density_ratio () |
virtual void | clear_info () |
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More... | |
virtual Strings & | info () |
non-const accessor More... | |
virtual Strings const & | info () const |
const accessor More... | |
virtual void | provide_citation_info (basic::citation_manager::CitationCollectionList &) const |
Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More... | |
Private Member Functions | |
core::Size | get_updates (core::io::silent::SilentStructCOP s) const |
void | set_updates (core::io::silent::SilentStructOP s, core::Size const updates) const |
void | update_bank (core::pose::Pose &pose) |
void | read_in_silent_file () |
void | write_out_silent_file (std::string const &silent_file="") |
void | write_out_round_silent_file () |
void | put_lock_on_silent_file () |
void | free_lock_on_silent_file () |
bool | check_for_closeness (core::pose::Pose &pose_test, core::pose::Pose const &full_model_pose) const |
core::Real | average_pairwise_distance () const |
Private Attributes | |
std::string const | lock_file |
core::Size const | csa_bank_size_ |
core::Size const | total_updates_ |
core::Real | csa_rmsd_ |
bool const | output_round_silent_files_ |
core::Size | total_updates_so_far_ |
core::io::silent::SilentFileDataOP | sfd_ |
bool const | annealing_ |
Additional Inherited Members | |
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typedef utility::tag::TagCOP | TagCOP |
typedef core::pose::Pose | Pose |
typedef core::pose::PoseCOP | PoseCOP |
typedef std::list< std::string > | Strings |
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static std::string | name () |
static void | register_options () |
Overload this static method if you access options within the mover. More... | |
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void | set_last_move_status (MoverStatus status) |
nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More... | |
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stepwise::monte_carlo::StepWiseMonteCarloOP | stepwise_monte_carlo_ |
rna::denovo::RNA_FragmentMonteCarloOP | rna_fragment_monte_carlo_ |
std::string const | silent_file_ |
core::Size const | nstruct_ |
bool | superimpose_over_all_ |
core::pose::PoseCOP | start_pose_ |
protocols::rna::setup::RNA_CSA_JobDistributor::RNA_CSA_JobDistributor | ( | stepwise::monte_carlo::StepWiseMonteCarloOP | stepwise_monte_carlo, |
std::string const & | silent_file, | ||
core::Size const | nstruct, | ||
core::Size const | csa_bank_size, | ||
core::Real const | csa_rmsd, | ||
bool const | output_round_silent_files, | ||
bool const | annealing | ||
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protocols::rna::setup::RNA_CSA_JobDistributor::RNA_CSA_JobDistributor | ( | protocols::rna::denovo::RNA_FragmentMonteCarloOP | rna_fragment_monte_carlo, |
std::string const & | silent_file, | ||
core::Size const | nstruct, | ||
core::Size const | csa_bank_size, | ||
core::Real const | csa_rmsd, | ||
bool const | output_round_silent_files, | ||
bool const | annealing | ||
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overridevirtual |
Main Method.
Implements protocols::rna::setup::RNA_JobDistributor.
References annealing_, average_pairwise_distance(), csa_bank_size_, csa_rmsd_, free_lock_on_silent_file(), has_another_job(), output_round_silent_files_, put_lock_on_silent_file(), read_in_silent_file(), core::scoring::rg, protocols::rna::setup::RNA_JobDistributor::rna_fragment_monte_carlo_, sfd_, protocols::rna::setup::RNA_JobDistributor::start_pose_, protocols::rna::setup::RNA_JobDistributor::stepwise_monte_carlo_, total_updates_so_far_, protocols::TR(), update_bank(), write_out_round_silent_file(), and write_out_silent_file().
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References core::kinematics::distance(), protocols::stepwise::modeler::align::get_rmsd(), and sfd_.
Referenced by apply().
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Referenced by read_in_silent_file().
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overridevirtual |
Implements protocols::rna::setup::RNA_JobDistributor.
References total_updates_, and total_updates_so_far_.
Referenced by apply().
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overridevirtual |
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References lock_file, protocols::rna::setup::RNA_JobDistributor::silent_file_, and protocols::TR().
Referenced by apply().
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References get_updates(), protocols::mean_field::max(), sfd_, protocols::rna::setup::RNA_JobDistributor::silent_file_, and total_updates_so_far_.
Referenced by apply().
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References core::id::to_string().
Referenced by update_bank().
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References protocols::stepwise::monte_carlo::build_full_model(), check_for_closeness(), csa_bank_size_, core::pose::Pose::energies(), protocols::moves::Mover::get_native_pose(), protocols::stepwise::monte_carlo::prepare_silent_struct(), protocols::hybridization::score, set_updates(), sfd_, protocols::rna::setup::RNA_JobDistributor::superimpose_over_all_, core::scoring::Energies::total_energy(), total_updates_so_far_, and protocols::TR().
Referenced by apply().
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References csa_bank_size_, protocols::rna::setup::RNA_JobDistributor::silent_file_, total_updates_so_far_, protocols::TR(), and write_out_silent_file().
Referenced by apply().
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References csa_bank_size_, core::io::silent::remove_silent_file_if_it_exists(), sfd_, and protocols::rna::setup::RNA_JobDistributor::silent_file_.
Referenced by apply(), and write_out_round_silent_file().
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Referenced by apply().
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Referenced by apply(), update_bank(), write_out_round_silent_file(), and write_out_silent_file().
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Referenced by apply(), and check_for_closeness().
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Referenced by free_lock_on_silent_file(), and put_lock_on_silent_file().
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Referenced by apply().
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Referenced by apply(), average_pairwise_distance(), read_in_silent_file(), update_bank(), and write_out_silent_file().
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Referenced by has_another_job().
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Referenced by apply(), has_another_job(), initialize(), read_in_silent_file(), update_bank(), and write_out_round_silent_file().