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Rosetta 3.5
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#include <cluster.hh>


Public Member Functions | |
| GatherPosesMover () | |
| void | set_score_function (core::scoring::ScoreFunctionOP sfxn) |
| void | set_filter (core::Real filter) |
| virtual void | apply (core::pose::Pose &pose) |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| bool | check_tag (const std::string &query_tag) |
| void | push_back (const core::pose::Pose &pose) |
| void | clear () |
| void | set_cluster_by_protein_backbone (bool const &setting) |
| void | set_cluster_by_all_atom (bool const &setting) |
| int | processed () const |
| std::vector< core::pose::Pose > & | get_pose_list () |
| std::vector< std::string > const & | get_tag_list () const |
| virtual core::Real | get_distance_measure (const core::pose::Pose &pose1, const core::pose::Pose &pose2) const |
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 |
| clone has to be overridden only if clone invocation is expected. More... | |
| virtual void | parse_my_tag (TagPtr const tag, 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 |
| this function informs 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 |
| this function informs 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 |
| this is like clone(), except it generates a new mover object freshly created with the default ctor. This function should be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage). More... | |
| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
| jobdist::BasicJobCOP | get_current_job () const |
Protected Attributes | |
| std::vector< core::pose::Pose > | poselist |
Private Attributes | |
| core::scoring::ScoreFunctionOP | sfxn_ |
| core::Real | filter_ |
| std::vector< std::string > | tag_list |
| bool | cluster_by_protein_backbone_ |
| bool | cluster_by_all_atom_ |
| std::map< std::string, core::Real > | template_scores |
| int | processed_ |
Additional Inherited Members | |
Public Types inherited from protocols::moves::Mover | |
| typedef utility::tag::TagPtr | TagPtr |
| 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. these options will end up in -help of your application if users of this mover call register_options. do this recursively! if you use movers within your mover, call their register_options in your register_options() method. 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... | |
Definition at line 40 of file cluster.hh.
| protocols::cluster::GatherPosesMover::GatherPosesMover | ( | ) |
Definition at line 126 of file cluster.cc.
References cluster_by_all_atom_, cluster_by_protein_backbone_, filter_, processed_, protocols::cluster::read_template_scores(), template_scores, and protocols::cluster::tr().
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virtual |
Implements protocols::moves::Mover.
Reimplemented in protocols::cluster::AssignToClustersMover.
Definition at line 210 of file cluster.cc.
References core::scoring::constraints::add_constraints_from_cmdline(), core::scoring::Energies::clear(), core::pose::Pose::energies(), core::pose::extract_tag_from_pose(), filter_, core::pose::get_all_score_line_strings(), get_distance_measure(), protocols::moves::Mover::get_native_pose(), core::pose::getPoseExtraScores(), poselist, processed_, core::pose::setPoseExtraScores(), sfxn_, tag_list, template_scores, and protocols::cluster::tr().
Referenced by protocols::cluster::AssignToClustersMover::apply().
| bool protocols::cluster::GatherPosesMover::check_tag | ( | const std::string & | query_tag) |
Definition at line 269 of file cluster.cc.
References tag_list.
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inline |
Definition at line 56 of file cluster.hh.
References poselist.
Referenced by protocols::cluster::ClusterBase::create_constraints().
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virtual |
Reimplemented in protocols::cluster::ClusterPhilStyle_Loop.
Definition at line 150 of file cluster.cc.
References core::scoring::all_atom_rmsd(), core::scoring::CA_gdtmm(), core::scoring::CA_rmsd(), core::scoring::CA_rmsd_symmetric(), cluster_by_all_atom_, cluster_by_protein_backbone_, core::scoring::invert_exclude_residues(), core::scoring::is_protein_backbone(), core::conformation::Residue::is_RNA(), core::pose::symmetry::is_symmetric(), core::pose::Pose::residue(), core::scoring::residue_sc_rmsd_no_super(), core::scoring::rmsd_with_super(), core::pose::Pose::total_residue(), and protocols::cluster::tr().
Referenced by protocols::cluster::ClusterBase::add_structure(), apply(), and protocols::cluster::ClusterBase::calculate_distance_matrix().
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virtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
Reimplemented in protocols::cluster::AssignToClustersMover, protocols::cluster::ClusterPhilStyle_Loop, protocols::cluster::ClusterPhilStyle, protocols::cluster::ClusterBase, protocols::cluster::EnsembleConstraints_Simple, and protocols::cluster::EnsembleConstraints.
Definition at line 265 of file cluster.cc.
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inline |
Definition at line 66 of file cluster.hh.
References poselist.
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inline |
Definition at line 68 of file cluster.hh.
References tag_list.
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inline |
Definition at line 64 of file cluster.hh.
References processed_.
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inline |
Definition at line 52 of file cluster.hh.
References poselist.
Referenced by protocols::cluster::ClusterBase::create_constraints(), protocols::cluster::ClusterBase::remove_highest_energy_member_of_each_group(), and protocols::cluster::ClusterBase::sort_each_group_by_energy().
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inline |
Definition at line 62 of file cluster.hh.
References cluster_by_all_atom_.
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inline |
Definition at line 60 of file cluster.hh.
References cluster_by_protein_backbone_.
| void protocols::cluster::GatherPosesMover::set_filter | ( | core::Real | filter) |
Definition at line 206 of file cluster.cc.
References filter_.
| void protocols::cluster::GatherPosesMover::set_score_function | ( | core::scoring::ScoreFunctionOP | sfxn) |
Definition at line 202 of file cluster.cc.
References sfxn_.
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private |
Definition at line 84 of file cluster.hh.
Referenced by GatherPosesMover(), get_distance_measure(), and set_cluster_by_all_atom().
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private |
Definition at line 83 of file cluster.hh.
Referenced by GatherPosesMover(), get_distance_measure(), and set_cluster_by_protein_backbone().
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private |
Definition at line 81 of file cluster.hh.
Referenced by apply(), GatherPosesMover(), and set_filter().
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protected |
Definition at line 77 of file cluster.hh.
Referenced by protocols::cluster::ClusterBase::add_structure(), apply(), protocols::cluster::AssignToClustersMover::apply(), protocols::cluster::ClusterBase::calculate_distance_matrix(), protocols::cluster::ClusterBase::clean_pose_store(), clear(), protocols::cluster::ClusterBase::create_constraints(), protocols::cluster::EnsembleConstraints_Simple::createConstraints(), protocols::cluster::ClusterPhilStyle::do_clustering(), get_pose_list(), protocols::cluster::ClusterBase::limit_groups(), protocols::cluster::ClusterBase::print_cluster_assignment(), protocols::cluster::ClusterBase::print_cluster_PDBs(), protocols::cluster::ClusterBase::print_clusters_silentfile(), protocols::cluster::ClusterBase::print_summary(), push_back(), protocols::cluster::ClusterBase::remove_highest_energy_member_of_each_group(), protocols::cluster::ClusterBase::return_lowest_poses_in_clusters(), protocols::cluster::ClusterBase::return_top_poses_in_clusters(), protocols::cluster::ClusterBase::sort_each_group_by_energy(), and protocols::cluster::ClusterBase::sort_groups_by_energy().
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private |
Definition at line 88 of file cluster.hh.
Referenced by apply(), GatherPosesMover(), and processed().
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private |
Definition at line 80 of file cluster.hh.
Referenced by apply(), and set_score_function().
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private |
Definition at line 82 of file cluster.hh.
Referenced by apply(), check_tag(), and get_tag_list().
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private |
Definition at line 86 of file cluster.hh.
Referenced by apply(), and GatherPosesMover().
1.8.4