Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Private Attributes | List of all members
protocols::simple_moves::symmetry::SymmetrySlider Class Referenceabstract

#include <SymDockingInitialPerturbation.hh>

Inheritance diagram for protocols::simple_moves::symmetry::SymmetrySlider:
Inheritance graph
[legend]
Collaboration diagram for protocols::simple_moves::symmetry::SymmetrySlider:
Collaboration graph
[legend]

Public Member Functions

 SymmetrySlider (core::pose::Pose &pose)
 
 SymmetrySlider (core::pose::Pose &pose, core::conformation::symmetry::SlideCriteriaType score_criteria, std::string SlideCriteriaVal="AUTOMATIC")
 
virtual ~SymmetrySlider ()
 
void setup (core::pose::Pose &pose)
 
virtual void select_jump ()=0
 
core::Size get_current_jump ()
 
core::Real get_slide_threshold ()
 
std::map< core::Size, bool > get_allow_slide_jump_map () const
 
void set_current_jump (core::Size jump_nbr)
 
void set_slide_criteria (std::string SlideCriteria)
 
void set_slide_threshold (std::string threshold)
 
core::Real slide_score (core::pose::Pose &pose)
 
void slide_away (core::pose::Pose &pose)
 
core::Real step_size ()
 
void disallow_current_slide ()
 
bool allowed_current_slide ()
 
bool continue_slide (core::pose::Pose &pose)
 
bool very_far_away (core::pose::Pose &pose)
 
bool finished ()
 
void slide (core::pose::Pose &pose)
 
void apply (core::pose::Pose &pose)
 
core::Real rg (core::pose::Pose const &pose)
 
bool dofmover_compresses (core::pose::Pose &pose, protocols::rigid::RigidBodyDofTransMover &dofmover)
 

Private Attributes

std::map< Size,
core::conformation::symmetry::SymDof > 		dofs_
 
std::map< core::Size, bool > AllowSlideJumpMap_
 
std::map< core::Size,
core::kinematics::Jump > 		InitialJumps_
 
std::map< core::Size, bool > InvertJump_
 
core::conformation::symmetry::SlideCriteriaType SlideCriteriaType_
 
core::scoring::symmetry::SymmetricScoreFunctionOP scorefxn_
 
std::string SlideThreshold_
 
bool reset_slide_
 
core::Size total_num_slides_
 
core::Size current_jump_
 

Detailed Description

Definition at line 138 of file SymDockingInitialPerturbation.hh.

Constructor & Destructor Documentation

protocols::simple_moves::symmetry::SymmetrySlider::SymmetrySlider ( core::pose::Pose &  pose)

Definition at line 303 of file SymDockingInitialPerturbation.cc.

protocols::simple_moves::symmetry::SymmetrySlider::SymmetrySlider ( core::pose::Pose &  pose,
core::conformation::symmetry::SlideCriteriaType  score_criteria,
std::string  SlideCriteriaVal = "AUTOMATIC" 
)

Definition at line 308 of file SymDockingInitialPerturbation.cc.

References core::conformation::symmetry::CEN_DOCK_SCORE, core::scoring::CENTROID_WTS, core::scoring::ScoreFunctionFactory::create_score_function(), core::scoring::DOCK_LOW_PATCH, core::pose::Pose::energies(), core::scoring::fa_rep, core::conformation::symmetry::FA_REP_SCORE, protocols::simple_moves::symmetry::FaSymDockingSlideTogether::scorefxn_, core::scoring::Energies::total_energies(), and core::conformation::symmetry::TOTAL_NUM_CRITERIA.

protocols::simple_moves::symmetry::SymmetrySlider::~SymmetrySlider ( )
virtual

Definition at line 301 of file SymDockingInitialPerturbation.cc.

Member Function Documentation

bool protocols::simple_moves::symmetry::SymmetrySlider::allowed_current_slide ( )

Definition at line 519 of file SymDockingInitialPerturbation.cc.

Referenced by slide().

void protocols::simple_moves::symmetry::SymmetrySlider::apply ( core::pose::Pose &  pose)

Definition at line 650 of file SymDockingInitialPerturbation.cc.

Referenced by protocols::symmetric_docking::SymFoldandDockSlideTrialMover::apply(), and protocols::simple_moves::symmetry::SymDockingInitialPerturbation::apply().

bool protocols::simple_moves::symmetry::SymmetrySlider::continue_slide ( core::pose::Pose &  pose)

Definition at line 494 of file SymDockingInitialPerturbation.cc.

References core::conformation::symmetry::CEN_DOCK_SCORE, core::conformation::symmetry::FA_REP_SCORE, and protocols::simple_moves::symmetry::TR().

Referenced by slide().

void protocols::simple_moves::symmetry::SymmetrySlider::disallow_current_slide ( )

Definition at line 527 of file SymDockingInitialPerturbation.cc.

Referenced by slide().

bool protocols::simple_moves::symmetry::SymmetrySlider::dofmover_compresses ( core::pose::Pose &  pose,
protocols::rigid::RigidBodyDofTransMover &  dofmover 
)

Definition at line 675 of file SymDockingInitialPerturbation.cc.

References protocols::rigid::RigidBodyDofTransMover::apply(), protocols::simple_moves::rg(), and protocols::rigid::RigidBodyDofTransMover::trans_axis().

bool protocols::simple_moves::symmetry::SymmetrySlider::finished ( )

Definition at line 390 of file SymDockingInitialPerturbation.cc.

std::map< core::Size, bool > protocols::simple_moves::symmetry::SymmetrySlider::get_allow_slide_jump_map ( ) const

Definition at line 536 of file SymDockingInitialPerturbation.cc.

Referenced by protocols::simple_moves::symmetry::SequentialSymmetrySlider::init(), protocols::simple_moves::symmetry::SequentialSymmetrySlider::select_jump(), protocols::simple_moves::symmetry::OrderedSequentialSymmetrySlider::select_jump(), and protocols::simple_moves::symmetry::RandomSymmetrySlider::select_jump().

core::Size protocols::simple_moves::symmetry::SymmetrySlider::get_current_jump ( )

Definition at line 514 of file SymDockingInitialPerturbation.cc.

Referenced by slide().

core::Real protocols::simple_moves::symmetry::SymmetrySlider::get_slide_threshold ( )

Definition at line 482 of file SymDockingInitialPerturbation.cc.

core::Real protocols::simple_moves::symmetry::SymmetrySlider::rg ( core::pose::Pose const &  pose)

Definition at line 656 of file SymDockingInitialPerturbation.cc.

References core::conformation::Residue::atom(), core::chemical::ResidueType::atom_index(), core::conformation::Residue::is_protein(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), protocols::simple_moves::rg(), core::pose::Pose::total_residue(), and protocols::kinmatch::xyz().

virtual void protocols::simple_moves::symmetry::SymmetrySlider::select_jump ( )
pure virtual

Implemented in protocols::simple_moves::symmetry::RandomSymmetrySlider, protocols::simple_moves::symmetry::OrderedSequentialSymmetrySlider, and protocols::simple_moves::symmetry::SequentialSymmetrySlider.

void protocols::simple_moves::symmetry::SymmetrySlider::set_current_jump ( core::Size  jump_nbr)

Definition at line 407 of file SymDockingInitialPerturbation.cc.

References protocols::simple_moves::symmetry::TR().

Referenced by protocols::simple_moves::symmetry::SequentialSymmetrySlider::select_jump(), protocols::simple_moves::symmetry::OrderedSequentialSymmetrySlider::select_jump(), and protocols::simple_moves::symmetry::RandomSymmetrySlider::select_jump().

void protocols::simple_moves::symmetry::SymmetrySlider::set_slide_criteria ( std::string  SlideCriteria)

Definition at line 402 of file SymDockingInitialPerturbation.cc.

void protocols::simple_moves::symmetry::SymmetrySlider::set_slide_threshold ( std::string  threshold)

Definition at line 487 of file SymDockingInitialPerturbation.cc.

void protocols::simple_moves::symmetry::SymmetrySlider::setup ( core::pose::Pose &  pose)

Definition at line 337 of file SymDockingInitialPerturbation.cc.

References core::conformation::symmetry::SymDof::allow_dof(), core::conformation::symmetry::CEN_DOCK_SCORE, core::scoring::CENTROID_WTS, core::pose::Pose::conformation(), core::scoring::ScoreFunctionFactory::create_score_function(), core::scoring::DOCK_LOW_PATCH, core::pose::symmetry::is_symmetric(), core::pose::Pose::jump(), protocols::simple_moves::symmetry::FaSymDockingSlideTogether::scorefxn_, core::conformation::symmetry::SymmetricConformation::Symmetry_Info(), and protocols::simple_moves::symmetry::TR().

void protocols::simple_moves::symmetry::SymmetrySlider::slide ( core::pose::Pose &  pose)

Definition at line 568 of file SymDockingInitialPerturbation.cc.

References allowed_current_slide(), protocols::rigid::RigidBodyDofTransMover::apply(), core::pose::Pose::conformation(), continue_slide(), disallow_current_slide(), get_current_jump(), core::pose::symmetry::is_symmetric(), core::pose::Pose::set_jump(), step_size(), protocols::rigid::RigidBodyDofTransMover::step_size(), core::conformation::symmetry::SymmetricConformation::Symmetry_Info(), protocols::simple_moves::symmetry::TR(), and protocols::rigid::RigidBodyDofTransMover::trans_axis().

void protocols::simple_moves::symmetry::SymmetrySlider::slide_away ( core::pose::Pose &  pose)

Definition at line 414 of file SymDockingInitialPerturbation.cc.

References protocols::rigid::RigidBodyDofTransMover::apply(), core::pose::Pose::conformation(), core::pose::symmetry::is_symmetric(), core::conformation::symmetry::SymmetricConformation::Symmetry_Info(), protocols::simple_moves::symmetry::TR(), and protocols::rigid::RigidBodyDofTransMover::trans_axis().

core::Real protocols::simple_moves::symmetry::SymmetrySlider::slide_score ( core::pose::Pose &  pose)

Definition at line 464 of file SymDockingInitialPerturbation.cc.

References core::conformation::symmetry::CEN_DOCK_SCORE, core::pose::Pose::energies(), core::scoring::fa_rep, core::conformation::symmetry::FA_REP_SCORE, core::scoring::interchain_vdw, and core::scoring::Energies::total_energies().

core::Real protocols::simple_moves::symmetry::SymmetrySlider::step_size ( )

Definition at line 477 of file SymDockingInitialPerturbation.cc.

Referenced by slide().

bool protocols::simple_moves::symmetry::SymmetrySlider::very_far_away ( core::pose::Pose &  pose)

Definition at line 542 of file SymDockingInitialPerturbation.cc.

References protocols::moves::Mover::clone(), core::pose::Pose::conformation(), core::sequence::end, core::pose::symmetry::find_symmetric_basejump_anchor(), core::pose::Pose::residue(), core::conformation::Residue::seqpos(), core::conformation::symmetry::SymmetricConformation::Symmetry_Info(), protocols::simple_moves::symmetry::TR(), and protocols::kinmatch::xyz().

Member Data Documentation

std::map< core::Size, bool > protocols::simple_moves::symmetry::SymmetrySlider::AllowSlideJumpMap_
private

Definition at line 183 of file SymDockingInitialPerturbation.hh.

core::Size protocols::simple_moves::symmetry::SymmetrySlider::current_jump_
private

Definition at line 191 of file SymDockingInitialPerturbation.hh.

std::map< Size, core::conformation::symmetry::SymDof > protocols::simple_moves::symmetry::SymmetrySlider::dofs_
private

Definition at line 182 of file SymDockingInitialPerturbation.hh.

std::map< core::Size, core::kinematics::Jump > protocols::simple_moves::symmetry::SymmetrySlider::InitialJumps_
private

Definition at line 184 of file SymDockingInitialPerturbation.hh.

std::map< core::Size, bool > protocols::simple_moves::symmetry::SymmetrySlider::InvertJump_
private

Definition at line 185 of file SymDockingInitialPerturbation.hh.

bool protocols::simple_moves::symmetry::SymmetrySlider::reset_slide_
private

Definition at line 189 of file SymDockingInitialPerturbation.hh.

core::scoring::symmetry::SymmetricScoreFunctionOP protocols::simple_moves::symmetry::SymmetrySlider::scorefxn_
private

Definition at line 187 of file SymDockingInitialPerturbation.hh.

core::conformation::symmetry::SlideCriteriaType protocols::simple_moves::symmetry::SymmetrySlider::SlideCriteriaType_
private

Definition at line 186 of file SymDockingInitialPerturbation.hh.

std::string protocols::simple_moves::symmetry::SymmetrySlider::SlideThreshold_
private

Definition at line 188 of file SymDockingInitialPerturbation.hh.

core::Size protocols::simple_moves::symmetry::SymmetrySlider::total_num_slides_
private

Definition at line 190 of file SymDockingInitialPerturbation.hh.

The documentation for this class was generated from the following files:
Generated on Sat Jun 1 2013 12:55:56 for Rosetta 3.5 by   doxygen 1.8.4