|
Rosetta 3.5
|
a particular gaussian mover from the original paper More...
#include <BBGaussianMover.hh>


Public Member Functions | |
| BBG8T3AMover () | |
| ~BBG8T3AMover () | |
| void | apply (Pose &) |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| void | factorA (core::Real const fA) |
| void | factorB (core::Real const fB) |
Public Member Functions inherited from protocols::simple_moves::BBGaussianMover | |
| BBGaussianMover (Size, Size, Size) | |
| ~BBGaussianMover () | |
| core::kinematics::MoveMapCOP | movemap () |
| void | movemap (core::kinematics::MoveMapCOP new_movemap) |
| Real | last_proposal_density_ratio () const |
| get the ratio of proposal densities for the last move 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 |
| 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 Member Functions | |
| void | get_VdRdPhi (Pose const &) |
| void | get_G () |
| void | get_A () |
| Real | get_L_move (Pose &) |
| Real | get_L_prime () |
Protected Member Functions inherited from protocols::simple_moves::BBGaussianMover | |
| void | setup_list (Pose const &) |
| Vector | get_dRdPhi (Vector const &r1, Vector const &r2, Vector const &r) |
| Vector | get_dRdTheta (Vector const &r1, Vector const &r2, Vector const &r3, Vector const &r) |
| Real | cholesky_fw (Matrix &, Size, utility::vector1< Real > &, utility::vector1< Real > &, Size from=1, Size to=0, Real scale=1.0) |
| Real | cholesky_bw (Matrix &, Size, utility::vector1< Real > &, utility::vector1< Real > &, Size from=1, Size to=0, Real scale=1.0) |
| void | pivot_range_randomly (Pose &, Size, Size) |
| randomly rotate the dih angle in this range for avoiding the fixed ends 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... | |
Private Attributes | |
| utility::vector1< string > | end_atom_list_ |
| utility::vector1< Real > | dphi |
| Real | factorA_ |
| Real | factorB_ |
| Real | last_delta_square_ |
a particular gaussian mover from the original paper
Definition at line 144 of file BBGaussianMover.hh.
| protocols::simple_moves::BBG8T3AMover::BBG8T3AMover | ( | ) |
Definition at line 312 of file BBGaussianMover.cc.
References end_atom_list_, factorA_, factorB_, and protocols::moves::Mover::type().
| protocols::simple_moves::BBG8T3AMover::~BBG8T3AMover | ( | ) |
Definition at line 327 of file BBGaussianMover.cc.
|
virtual |
Implements protocols::moves::Mover.
Definition at line 637 of file BBGaussianMover.cc.
References protocols::simple_moves::BBGaussianMover::available_seg_list_, get_A(), get_G(), get_L_move(), get_L_prime(), get_VdRdPhi(), protocols::simple_moves::BBGaussianMover::last_proposal_density_ratio_, core::sequence::left, protocols::simple_moves::BBGaussianMover::n_pert_res_, protocols::simple_moves::BBGaussianMover::pivot_range_randomly(), protocols::simple_moves::BBGaussianMover::resnum_, protocols::simple_moves::RG(), and protocols::simple_moves::BBGaussianMover::setup_list().
Referenced by protocols::enzdes::BackboneSampler::apply(), and protocols::protein_interface_design::movers::BackrubDDMover::apply().
| void protocols::simple_moves::BBG8T3AMover::factorA | ( | core::Real const | fA) |
Definition at line 303 of file BBGaussianMover.cc.
Referenced by protocols::enzdes::BackboneSampler::apply(), and protocols::protein_interface_design::movers::BackrubDDMover::apply().
| void protocols::simple_moves::BBG8T3AMover::factorB | ( | core::Real const | fB) |
Definition at line 308 of file BBGaussianMover.cc.
Referenced by protocols::enzdes::BackboneSampler::apply(), and protocols::protein_interface_design::movers::BackrubDDMover::apply().
|
protectedvirtual |
Implements protocols::simple_moves::BBGaussianMover.
Definition at line 409 of file BBGaussianMover.cc.
References factorA_, factorB_, protocols::simple_moves::BBGaussianMover::matrix_A, protocols::simple_moves::BBGaussianMover::matrix_G, and protocols::simple_moves::BBGaussianMover::n_dof_angle_.
Referenced by apply().
|
protectedvirtual |
Implements protocols::simple_moves::BBGaussianMover.
Definition at line 380 of file BBGaussianMover.cc.
References end_atom_list_, protocols::simple_moves::BBGaussianMover::matrix_dRdPhi, protocols::simple_moves::BBGaussianMover::matrix_G, and protocols::simple_moves::BBGaussianMover::n_dof_angle_.
Referenced by apply().
|
protectedvirtual |
Implements protocols::simple_moves::BBGaussianMover.
Definition at line 423 of file BBGaussianMover.cc.
References protocols::simple_moves::BBGaussianMover::cholesky_fw(), dphi, protocols::simple_moves::BBGaussianMover::matrix_A, protocols::simple_moves::BBGaussianMover::n_dof_angle_, core::pose::Pose::phi(), core::pose::Pose::psi(), protocols::simple_moves::BBGaussianMover::resnum_, protocols::simple_moves::RG(), core::pose::Pose::set_phi(), and core::pose::Pose::set_psi().
Referenced by apply().
|
protectedvirtual |
Implements protocols::simple_moves::BBGaussianMover.
Definition at line 541 of file BBGaussianMover.cc.
References protocols::simple_moves::BBGaussianMover::cholesky_bw(), dphi, protocols::simple_moves::BBGaussianMover::matrix_A, and protocols::simple_moves::BBGaussianMover::n_dof_angle_.
Referenced by apply().
|
virtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
Definition at line 330 of file BBGaussianMover.cc.
|
protectedvirtual |
Implements protocols::simple_moves::BBGaussianMover.
Definition at line 334 of file BBGaussianMover.cc.
References end_atom_list_, protocols::simple_moves::BBGaussianMover::get_dRdPhi(), protocols::simple_moves::BBGaussianMover::matrix_dRdPhi, core::pose::Pose::residue(), and protocols::simple_moves::BBGaussianMover::resnum_.
Referenced by apply().
|
private |
Definition at line 172 of file BBGaussianMover.hh.
Referenced by get_L_move(), and get_L_prime().
|
private |
Definition at line 171 of file BBGaussianMover.hh.
Referenced by BBG8T3AMover(), get_G(), and get_VdRdPhi().
|
private |
Definition at line 173 of file BBGaussianMover.hh.
Referenced by BBG8T3AMover(), and get_A().
|
private |
Definition at line 174 of file BBGaussianMover.hh.
Referenced by BBG8T3AMover(), and get_A().
|
private |
Definition at line 175 of file BBGaussianMover.hh.
1.8.4