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Rosetta Protocols
2014.16.56682
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#include <RigidBodyRotamer.hh>
Public Member Functions | |
| RigidBodyRotamer (pose::Pose const &pose, Size const moving_res) | |
| RigidBodyRotamer (Size const moving_res, core::conformation::Residue const &moving_residue_at_origin, core::kinematics::Stub const &reference_stub) | |
| ~RigidBodyRotamer () | |
| void | init () |
| Initialization. More... | |
| virtual void | apply (core::pose::Pose &pose) |
| Apply the current rotamer to pose. More... | |
| virtual void | apply (core::pose::Pose &pose, Size const id) |
| Apply the i-th rotamer to pose. More... | |
| void | apply (core::pose::Pose &pose, core::conformation::Residue const &moving_residue_at_origin) |
| void | apply (core::pose::Pose &pose, core::conformation::Residue const &moving_residue_at_origin, Size const id) |
| void | apply (core::conformation::Residue &residue_initially_at_origin) |
| void | apply (Vector &xyz_initially_at_origin, Size const seqpos) |
| core::kinematics::Stub const & | get_stub () |
| core::kinematics::Stub const & | get_stub (utility::vector1< Size > const &id_list) |
| core::kinematics::Stub const & | get_stub (Size const id) |
| core::kinematics::Stub const & | reference_stub () |
| core::conformation::Residue const & | get_residue_at_origin (Size const seqpos) |
| core::pose::PoseCOP | pose_at_origin () |
| void | fast_forward_to_end () |
| void | fast_forward_to_next_translation () |
| void | fast_forward_to_next_euler_gamma () |
| ValueList const & | get_values () |
| Size const & | moving_res () const |
| core::conformation::Residue const & | moving_residue_at_origin () const |
| virtual RotamerType | type () const |
| Type of class (see enum in RotamerTypes.hh) More... | |
| Size const & | reference_res () const |
| utility::vector1< Size > const & | moving_partition_res () const |
| RigidBodyRotamerValueRange & | value_range () |
| void | set_x_values (Real const centroid_x_min, Real const centroid_x_max, Real const centroid_x_bin) |
| void | set_y_values (Real const centroid_y_min, Real const centroid_y_max, Real const centroid_y_bin) |
| void | set_z_values (Real const centroid_z_min, Real const centroid_z_max, Real const centroid_z_bin) |
| void | set_euler_alpha_values (Real const centroid_euler_alpha_min, Real const centroid_euler_alpha_max, Real const centroid_euler_alpha_bin) |
| void | set_euler_z_values (Real const centroid_euler_z_min, Real const centroid_euler_z_max, Real const centroid_euler_z_bin) |
| void | set_euler_gamma_values (Real const centroid_euler_gamma_min, Real const centroid_euler_gamma_max, Real const centroid_euler_gamma_bin) |
Public Member Functions inherited from protocols::rotamer_sampler::RotamerOneValueComb | |
| RotamerOneValueComb () | |
| virtual | ~RotamerOneValueComb () |
| ValueList const & | get_value_list (Size const id) |
| ValueList const & | get_value_list (utility::vector1< Size > const &id_list) |
| virtual void | add_rotamer (RotamerOneValueOP const &rotamer) |
| Add one more rotamer sampler to this sampler. More... | |
| virtual std::string | get_name () const |
| Name of the class. More... | |
Public Member Functions inherited from protocols::rotamer_sampler::RotamerSizedComb | |
| RotamerSizedComb () | |
| RotamerSizedComb (RotamerSizedOP outer_loop_rotamer, RotamerSizedOP inner_loop_rotamer) | |
| virtual | ~RotamerSizedComb () |
| virtual void | reset () |
| Reset to the first (or random if random()) rotamer. More... | |
| virtual void | operator++ () |
| Move to next rotamer. More... | |
| virtual core::Size | size () const |
| Get the total number of rotamers in sampler. More... | |
| virtual void | add_rotamer (RotamerSizedOP const &rotamer) |
| Add one more rotamer sampler to this sampler. More... | |
| virtual void | clear_rotamer () |
| Clear all rotamer samplers stored in this sampler. More... | |
| void | fast_forward (Size const sampler_number) |
| Move sampler to end. More... | |
| virtual void | set_random (bool const setting) |
| Set the random sampling state. More... | |
Public Member Functions inherited from protocols::rotamer_sampler::RotamerSized | |
| RotamerSized () | |
| virtual | ~RotamerSized () |
| virtual bool | not_end () const |
| Check if reach the end of rotamer list. More... | |
| Size const & | id () const |
| virtual void | fast_forward () |
| virtual void | set_id (Size const setting) |
Public Member Functions inherited from protocols::rotamer_sampler::RotamerBase | |
| RotamerBase () | |
| virtual | ~RotamerBase () |
| virtual bool | random () const |
| Check if is random sampling. More... | |
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 | calculate_jump (pose::Pose &pose, Size const seq_num, kinematics::Stub const &moving_res_stub) |
| void | transform_single_residue (pose::Pose &pose, Size const &seq_num, core::conformation::Residue const &rsd_at_origin, core::kinematics::Stub const &moving_res_stub) |
| void | apply_by_jump (pose::Pose &pose, Size const &seq_num, core::kinematics::Stub const &moving_res_stub) |
Additional Inherited Members | |
Public Types inherited from protocols::rotamer_sampler::RotamerBase | |
| typedef utility::vector1 < core::Real > | TorsionList |
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::rotamer_sampler::RotamerSizedComb | |
| utility::vector1< core::Size > | id2list (core::Size const id) const |
| Convert input id number to the individual id_list for each stored rotamer sampler. More... | |
| core::Size | list2id (utility::vector1< core::Size > const &id_list) const |
| Convert id_list for each stored rotamer sampler stored to the global id number. More... | |
Protected Member Functions inherited from protocols::rotamer_sampler::RotamerBase | |
| bool | is_init () const |
| Check if the sampler has been initialized. More... | |
| void | set_init (bool const setting) |
| Set the initialization state. More... | |
| template<class T > | |
| void | set_and_reinit (T ¶ms, T const &setting) |
| Set value of a parameter, return to pre-init state. 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... | |
Protected Attributes inherited from protocols::rotamer_sampler::RotamerSizedComb | |
| utility::vector1< core::Size > | id_list_ |
| utility::vector1< RotamerSizedOP > | rotamer_list_ |
Protected Attributes inherited from protocols::rotamer_sampler::RotamerSized | |
| core::Size | id_ |
| protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::RigidBodyRotamer | ( | pose::Pose const & | pose, |
| Size const | moving_res | ||
| ) |
References protocols::rotamer_sampler::rigid_body::figure_out_moving_partition_res(), protocols::rotamer_sampler::rigid_body::initialize_stub(), moving_partition_res_, moving_res_, moving_residue_at_origin_, pose_at_origin_, reference_res_, reference_stub_, and protocols::rotamer_sampler::rigid_body::transform_moving_partition_to_origin().
| protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::RigidBodyRotamer | ( | Size const | moving_res, |
| core::conformation::Residue const & | moving_residue_at_origin, | ||
| core::kinematics::Stub const & | reference_stub | ||
| ) |
| protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::~RigidBodyRotamer | ( | ) |
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Apply the current rotamer to pose.
Reimplemented from protocols::rotamer_sampler::RotamerSizedComb.
References protocols::rotamer_sampler::RotamerSized::id_.
Referenced by apply(), and protocols::stepwise::sampling::rna::legacy::rigid_body::StepWiseRNA_FloatingBaseSampler::apply().
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Apply the i-th rotamer to pose.
Reimplemented from protocols::rotamer_sampler::RotamerSizedComb.
References apply_by_jump(), get_stub(), protocols::rotamer_sampler::RotamerBase::is_init(), moving_res_, and runtime_assert.
| void protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::apply | ( | core::pose::Pose & | pose, |
| core::conformation::Residue const & | moving_residue_at_origin | ||
| ) |
References apply(), and protocols::rotamer_sampler::RotamerSized::id_.
| void protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::apply | ( | core::pose::Pose & | pose, |
| core::conformation::Residue const & | moving_residue_at_origin, | ||
| Size const | id | ||
| ) |
| void protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::apply | ( | core::conformation::Residue & | residue_initially_at_origin | ) |
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References calculate_jump(), jump_, jump_atom_id_, moving_res_stub_, and core::pose::Pose::set_jump().
Referenced by apply().
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References core::kinematics::AtomTree::atom_dont_do_update(), core::chemical::ResidueType::atom_index(), core::chemical::ResidueType::atom_name(), core::pose::Pose::atom_tree(), core::kinematics::FoldTree::downstream_atom(), core::pose::Pose::fold_tree(), protocols::rotamer_sampler::rigid_body::get_specific_atom_coordinate(), j, jump_, jump_atom_id_, protocols::stepwise::look_for_unique_jump_to_moving_res(), moving_residue_at_origin(), core::pose::Pose::residue_type(), runtime_assert, and core::pose::Pose::xyz().
Referenced by apply_by_jump().
| void protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::fast_forward_to_end | ( | ) |
| void protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::fast_forward_to_next_euler_gamma | ( | ) |
| void protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::fast_forward_to_next_translation | ( | ) |
References protocols::rotamer_sampler::RotamerSized::fast_forward().
Referenced by protocols::stepwise::sampling::rna::legacy::rigid_body::StepWiseRNA_FloatingBaseSampler::apply(), protocols::stepwise::screener::StubDistanceScreener::fast_forward(), and protocols::stepwise::screener::CentroidDistanceScreener::fast_forward().
| core::conformation::Residue const & protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::get_residue_at_origin | ( | Size const | seqpos | ) |
References pose_at_origin_.
| core::kinematics::Stub const & protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::get_stub | ( | ) |
| core::kinematics::Stub const & protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::get_stub | ( | utility::vector1< Size > const & | id_list | ) |
| core::kinematics::Stub const & protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::get_stub | ( | Size const | id | ) |
References get_stub(), and protocols::rotamer_sampler::RotamerSizedComb::id2list().
| utility::vector1< Real > const & protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::get_values | ( | ) |
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Initialization.
Reimplemented from protocols::rotamer_sampler::RotamerSizedComb.
References protocols::rotamer_sampler::RotamerOneValueComb::add_rotamer(), protocols::rotamer_sampler::RotamerSizedComb::clear_rotamer(), protocols::rotamer_sampler::rigid_body::RigidBodyRotamerValueRange::euler_alpha_values(), protocols::rotamer_sampler::rigid_body::RigidBodyRotamerValueRange::euler_gamma_values(), protocols::rotamer_sampler::rigid_body::RigidBodyRotamerValueRange::euler_z_values(), protocols::rotamer_sampler::RotamerSizedComb::init(), protocols::rotamer_sampler::rigid_body::RigidBodyRotamerValueRange::init(), value_range_, protocols::rotamer_sampler::rigid_body::RigidBodyRotamerValueRange::x_values(), protocols::rotamer_sampler::rigid_body::RigidBodyRotamerValueRange::y_values(), and protocols::rotamer_sampler::rigid_body::RigidBodyRotamerValueRange::z_values().
Referenced by protocols::stepwise::sampling::rna::legacy::rigid_body::StepWiseRNA_FloatingBaseSampler::initialize_rigid_body_sampler().
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Referenced by calculate_jump().
| core::pose::PoseCOP protocols::rotamer_sampler::rigid_body::RigidBodyRotamer::pose_at_origin | ( | ) |
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References protocols::rotamer_sampler::rigid_body::get_atom_coordinates(), and core::pose::Pose::set_xyz().
Referenced by apply().
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Type of class (see enum in RotamerTypes.hh)
Reimplemented from protocols::rotamer_sampler::RotamerOneValueComb.
References protocols::rotamer_sampler::RIGID_BODY.
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Referenced by protocols::stepwise::sampling::rna::legacy::rigid_body::StepWiseRNA_RigidBodyConnectionSampler::initialize_euler_angle_grid_parameters(), protocols::stepwise::sampling::rna::legacy::rigid_body::StepWiseRNA_FloatingBaseSampler::initialize_rigid_body_sampler(), and protocols::stepwise::sampling::rna::legacy::rigid_body::StepWiseRNA_RigidBodyConnectionSampler::initialize_xyz_grid_parameters().
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Referenced by apply_by_jump(), and calculate_jump().
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Referenced by apply_by_jump(), and calculate_jump().
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Referenced by apply(), and RigidBodyRotamer().
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Referenced by apply(), and RigidBodyRotamer().
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Referenced by apply_by_jump(), and get_stub().
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Referenced by RigidBodyRotamer().
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Referenced by get_residue_at_origin(), pose_at_origin(), and RigidBodyRotamer().
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Referenced by RigidBodyRotamer().
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Referenced by get_stub(), and RigidBodyRotamer().
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Referenced by init(), set_euler_alpha_values(), set_euler_gamma_values(), set_euler_z_values(), set_x_values(), set_y_values(), and set_z_values().
1.8.7