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Rosetta Protocols
2014.16.56682
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#include <StepWiseRNA_ClassicResidueSampler.hh>
Public Member Functions | |
| StepWiseRNA_ClassicResidueSampler (StepWiseRNA_JobParametersCOP &job_parameters_) | |
| ~StepWiseRNA_ClassicResidueSampler () | |
| virtual void | apply (core::pose::Pose &pose_to_visualize) |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| void | set_extra_tag (std::string const setting) |
| void | set_silent_file (std::string const &setting) |
| void | set_scorefxn (core::scoring::ScoreFunctionOP const &scorefxn) |
| void | set_pose_list (utility::vector1< PoseOP > &pose_list) |
| utility::vector1< PoseOP > & | pose_list () |
| void | set_base_centroid_checker (checker::RNA_BaseCentroidCheckerOP &checker) |
| void | set_user_input_VDW_bin_checker (checker::RNA_VDW_BinCheckerOP const &user_input_VDW_bin_checker) |
| void | set_rebuild_bulge_mode (bool const &setting) |
| void | set_options (StepWiseRNA_ModelerOptionsCOP options) |
Public Member Functions inherited from protocols::moves::MoverForPoseList | |
| MoverForPoseList () | |
| ~MoverForPoseList () | |
| virtual void | apply (utility::vector1< core::pose::PoseOP > &pose_list) |
| virtual void | apply (utility::vector1< core::pose::PoseOP > &pose_list, core::pose::Pose &viewer_pose) |
Public Member Functions inherited from protocols::moves::Mover | |
| Mover () | |
| virtual | ~Mover () |
| virtual MoverSP | create () |
| virtual void | apply (core::io::serialization::PipeMap &pmap) |
| virtual void | parse_state (SerializableState const &state) |
| virtual void | parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache) |
| virtual void | save_state (SerializableState &state) |
| Mover (std::string const &type_name) | |
| sets the type for a mover; name_ has been removed (2010/05/14) More... | |
| Mover (Mover const &other) | |
| Mover & | operator= (Mover const &other) |
| assignment operator More... | |
| virtual core::Real | last_proposal_density_ratio () |
| std::string const & | type () const |
| 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... | |
| void | set_current_tag (std::string const &new_tag) |
| 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 | 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... | |
| void | type (const std::string &type_in) |
| virtual MoverOP | clone () const |
| Return a clone of the Mover object. More... | |
| virtual void | parse_my_tag (TagCOP tag, basic::datacache::DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose) |
| Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
| std::string | get_type () const |
| 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... | |
| 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 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... | |
| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
| jobdist::BasicJobCOP | get_current_job () const |
| virtual void | show (std::ostream &output=std::cout) const |
| Outputs details about the Mover, including current settings. More... | |
Private Member Functions | |
| void | initialize_poses_and_checkers (core::pose::Pose &pose) |
| bool | break_early_for_integration_tests () |
| void | output_count_data () |
| Size | get_num_pose_kept () |
| bool | bulge_variant_decision (core::pose::Pose &pose, Real const &delta_atr_score) |
| void | apply_bulge_variant (core::pose::Pose &pose) const |
Additional Inherited Members | |
Public Types inherited from protocols::moves::Mover | |
| typedef utility::tag::TagCOP | TagCOP |
| typedef core::pose::Pose | Pose |
| typedef core::pose::PoseCOP | PoseCOP |
| typedef protocols::filters::Filters_map | Filters_map |
| typedef std::list< std::string > | Strings |
Static Public Member Functions inherited from protocols::moves::Mover | |
| static std::string | name () |
| static void | register_options () |
| Overload this static method if you access options within the mover. More... | |
Protected Member Functions inherited from protocols::moves::Mover | |
| 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... | |
| protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::StepWiseRNA_ClassicResidueSampler | ( | StepWiseRNA_JobParametersCOP & | job_parameters_ | ) |
| protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::~StepWiseRNA_ClassicResidueSampler | ( | ) |
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Implements protocols::moves::MoverForPoseList.
References actually_moving_res_, apply_bulge_variant(), atom_atom_overlap_dist_cutoff_, atr_rep_checker_, base_centroid_checker_, break_early_for_integration_tests(), build_pose_from_scratch_, bulge_variant_decision(), chain_closable_geometry_checker_, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::chain_closable_geometry_count, chain_closure_checker_, protocols::stepwise::sampling::rna::checker::ChainClosureChecker::check_loop_closed(), protocols::stepwise::sampling::rna::checker::ChainClosureChecker::check_screen(), protocols::stepwise::sampling::rna::checker::RNA_BaseCentroidChecker::check_that_terminal_res_are_unstacked(), close_chain_to_distal_, protocols::stepwise::sampling::rna::checker::ChainClosureChecker::copy_CCD_torsions(), count_data_, protocols::stepwise::sampling::rna::create_rotamer_string(), protocols::stepwise::sampling::rna::create_tag(), extra_tag_, protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::finalize(), gap_size_, protocols::moves::Mover::get_native_pose(), protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::good_bin_rep_count, initialize_poses_and_checkers(), is_internal_, is_prepend_, protocols::stepwise::sampling::rna::is_residues_in_contact(), job_parameters_, kic_sampling_, last_append_res_, last_prepend_res_, moving_res_, native_rmsd_screen_, num_nucleotides_, o2prime_packer_, options_, output_count_data(), protocols::stepwise::sampling::rna::output_data(), protocols::stepwise::sampling::rna::output_title_text(), phosphate_sampler_, protocols::stepwise::sampling::rna::checker::ChainClosureChecker::pose(), protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::pose_list(), pose_list_, pose_selection_, protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::pose_selection_by_full_score(), protocols::stepwise::sampling::rna::remove_virtual_rna_residue_variant_type(), protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::residues_contact_screen, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::rmsd_count, protocols::stepwise::sampling::rna::rmsd_over_residue_list(), rotamer_sampler_, screening_pose_, silent_file_, protocols::stepwise::sampling::rna::suite_rmsd(), tag, tag_into_pose(), protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::tot_rotamer_count, protocols::TR, protocols::stepwise::sampling::rna::checker::RNA_BaseCentroidChecker::update_base_stub_list_and_check_centroid_interaction(), user_input_VDW_bin_checker_, protocols::stepwise::sampling::rna::checker::RNA_VDW_BinChecker::user_inputted_VDW_screen_pose(), utility_exit_with_message, protocols::stepwise::sampling::rna::checker::RNA_VDW_BinChecker::VDW_rep_screen(), and working_moving_partition_pos_.
Referenced by protocols::stepwise::sampling::rna::StepWiseRNA_ResidueSampler::standard_sampling().
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References protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::both_count, count_data_, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::full_score_count, native_rmsd_screen_, options_, and protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::rmsd_count.
Referenced by apply().
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References protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::both_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::bulge_at_chain_closure_count, count_data_, protocols::stepwise::sampling::rna::is_virtual_base(), moving_res_, options_, rebuild_bulge_mode_, core::pose::Pose::residue(), runtime_assert, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::tot_rotamer_count, and protocols::TR.
Referenced by apply().
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Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
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References build_pose_from_scratch_, job_parameters_, options_, and protocols::TR.
Referenced by initialize_poses_and_checkers().
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References protocols::stepwise::sampling::rna::add_harmonic_chain_break_constraint(), protocols::stepwise::sampling::rna::add_virtual_O2Prime_hydrogen(), atom_atom_overlap_dist_cutoff_, atr_rep_checker_, base_centroid_checker_, build_pose_from_scratch_, chain_closable_geometry_checker_, chain_closure_checker_, core::pose::Pose::clone(), close_chain_to_distal_, five_prime_chain_break_res_, gap_size_, get_num_pose_kept(), job_parameters_, kic_sampling_, last_append_res_, last_prepend_res_, native_rmsd_screen_, o2prime_packer_, options_, phosphate_sampler_, pose_list_, pose_selection_, protocols::stepwise::sampling::rna::phosphate::remove_terminal_phosphates(), rotamer_sampler_, runtime_assert, scorefxn_, screening_pose_, protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::set_cluster_rmsd(), protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::set_distinguish_pucker(), set_extra_tag(), protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::set_num_pose_kept(), protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::set_PBP_clustering_at_chain_closure(), protocols::stepwise::sampling::rna::StepWiseRNA_PoseSelection::set_pose_list(), protocols::stepwise::sampling::rna::checker::ChainClosureChecker::set_reinitialize_CCD_torsions(), protocols::rotamer_sampler::rna::setup_rotamer_sampler(), tag_from_pose(), protocols::TR, and working_moving_partition_pos_.
Referenced by apply().
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References atr_rep_checker_, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::base_pairing_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::base_stack_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::bulge_at_chain_closure_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::chain_break_screening_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::chain_closable_geometry_count, close_chain_to_distal_, count_data_, gap_size_, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::good_angle_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::good_distance_count, options_, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::residues_contact_screen, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::rmsd_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::strict_base_pairing_count, protocols::stepwise::sampling::rna::StepWiseRNA_CountStruct::tot_rotamer_count, and protocols::TR.
Referenced by apply().
| utility::vector1< pose::PoseOP > & protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::pose_list | ( | ) |
References pose_list_.
Referenced by set_pose_list(), and protocols::stepwise::sampling::rna::StepWiseRNA_ResidueSampler::standard_sampling().
| void protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::set_base_centroid_checker | ( | checker::RNA_BaseCentroidCheckerOP & | checker | ) |
References base_centroid_checker_.
Referenced by protocols::stepwise::sampling::rna::StepWiseRNA_ResidueSampler::standard_sampling().
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Referenced by initialize_poses_and_checkers().
| void protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::set_options | ( | StepWiseRNA_ModelerOptionsCOP | options | ) |
References options_.
Referenced by protocols::stepwise::sampling::rna::StepWiseRNA_ResidueSampler::standard_sampling().
| void protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::set_pose_list | ( | utility::vector1< PoseOP > & | pose_list | ) |
References pose_list(), and pose_list_.
Referenced by protocols::stepwise::sampling::rna::StepWiseRNA_ResidueSampler::standard_sampling().
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| void protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::set_scorefxn | ( | core::scoring::ScoreFunctionOP const & | scorefxn | ) |
References scorefxn_.
Referenced by protocols::stepwise::sampling::rna::StepWiseRNA_ResidueSampler::standard_sampling().
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| void protocols::stepwise::sampling::rna::legacy::suite::StepWiseRNA_ClassicResidueSampler::set_user_input_VDW_bin_checker | ( | checker::RNA_VDW_BinCheckerOP const & | user_input_VDW_bin_checker | ) |
References user_input_VDW_bin_checker_.
Referenced by protocols::stepwise::sampling::rna::StepWiseRNA_ResidueSampler::standard_sampling().
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Referenced by apply().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), initialize_poses_and_checkers(), and output_count_data().
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Referenced by apply(), initialize_poses_and_checkers(), and set_base_centroid_checker().
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Referenced by apply(), get_num_pose_kept(), and initialize_poses_and_checkers().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), initialize_poses_and_checkers(), and output_count_data().
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Referenced by apply(), break_early_for_integration_tests(), bulge_variant_decision(), and output_count_data().
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Referenced by apply().
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Referenced by initialize_poses_and_checkers().
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Referenced by apply(), initialize_poses_and_checkers(), and output_count_data().
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Referenced by apply().
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Referenced by apply().
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Referenced by apply(), get_num_pose_kept(), initialize_poses_and_checkers(), and StepWiseRNA_ClassicResidueSampler().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), apply_bulge_variant(), and bulge_variant_decision().
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Referenced by apply(), break_early_for_integration_tests(), and initialize_poses_and_checkers().
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Referenced by apply(), and StepWiseRNA_ClassicResidueSampler().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply(), initialize_poses_and_checkers(), pose_list(), and set_pose_list().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by bulge_variant_decision().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by initialize_poses_and_checkers(), and set_scorefxn().
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Referenced by apply(), and initialize_poses_and_checkers().
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Referenced by apply().
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Referenced by apply(), and set_user_input_VDW_bin_checker().
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Referenced by apply(), and initialize_poses_and_checkers().
1.8.7