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protocols::surface_docking::CentroidRelaxMover Class Reference

#include <CentroidRelaxMover.hh>

Inheritance diagram for protocols::surface_docking::CentroidRelaxMover:
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Collaboration diagram for protocols::surface_docking::CentroidRelaxMover:
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Public Member Functions

 CentroidRelaxMover ()
 
 ~CentroidRelaxMover ()
 
void apply (core::pose::Pose &)
 virtual functions that get overloaded or More...
 
virtual std::string get_name () const
 Each derived class must specify its name. The class name. More...
 
void set_nmoves (const core::Size)
 
void setup_defaults ()
 
void FinalizeMovers (core::pose::Pose &)
 
void setupMovers ()
 
void init_from_options ()
 
- 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)
 
Moveroperator= (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 Stringsinfo ()
 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
 

Private Attributes

bool benchmark_
 
core::Real temperature_
 
core::Size nmoves_
 
std::map< char, core::Realangle_max_
 
core::Real kT_
 
core::scoring::ScoreFunctionOP score_low_res_
 
std::string smallmin_type_
 
std::string shearmin_type_
 
core::kinematics::MoveMapOP moveMapOP_
 
core::kinematics::MoveMapOP smallmoveMapOP_
 
core::kinematics::MoveMapOP shearmoveMapOP_
 
moves::MonteCarloOP monteCarlo_
 
moves::MonteCarloOP smallmonteCarlo_
 
moves::MonteCarloOP shearmonteCarlo_
 
simple_moves::SmallMoverOP smallmover_
 
simple_moves::MinMoverOP smallminmover_
 
moves::SequenceMoverOP smallsequenceMover_
 
moves::TrialMoverOP small_trial_min_mover_
 
simple_moves::ShearMoverOP shearmover_
 
simple_moves::MinMoverOP shearminmover_
 
moves::SequenceMoverOP shearsequenceMover_
 
moves::TrialMoverOP shear_trial_min_mover_
 

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...
 

Constructor & Destructor Documentation

protocols::surface_docking::CentroidRelaxMover::CentroidRelaxMover ( )
protocols::surface_docking::CentroidRelaxMover::~CentroidRelaxMover ( )

Member Function Documentation

void protocols::surface_docking::CentroidRelaxMover::apply ( core::pose::Pose pose)
virtual
void protocols::surface_docking::CentroidRelaxMover::FinalizeMovers ( core::pose::Pose pose)
std::string protocols::surface_docking::CentroidRelaxMover::get_name ( ) const
virtual

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

void protocols::surface_docking::CentroidRelaxMover::init_from_options ( )

References benchmark_.

Referenced by setup_defaults().

void protocols::surface_docking::CentroidRelaxMover::set_nmoves ( const core::Size  nmoves_in)

References nmoves_.

void protocols::surface_docking::CentroidRelaxMover::setup_defaults ( )
void protocols::surface_docking::CentroidRelaxMover::setupMovers ( )

Member Data Documentation

std::map< char, core::Real > protocols::surface_docking::CentroidRelaxMover::angle_max_
private
bool protocols::surface_docking::CentroidRelaxMover::benchmark_
private
core::Real protocols::surface_docking::CentroidRelaxMover::kT_
private
moves::MonteCarloOP protocols::surface_docking::CentroidRelaxMover::monteCarlo_
private

Referenced by apply(), and FinalizeMovers().

core::kinematics::MoveMapOP protocols::surface_docking::CentroidRelaxMover::moveMapOP_
private

Referenced by setupMovers().

core::Size protocols::surface_docking::CentroidRelaxMover::nmoves_
private
core::scoring::ScoreFunctionOP protocols::surface_docking::CentroidRelaxMover::score_low_res_
private
moves::TrialMoverOP protocols::surface_docking::CentroidRelaxMover::shear_trial_min_mover_
private

Referenced by apply(), and FinalizeMovers().

std::string protocols::surface_docking::CentroidRelaxMover::shearmin_type_
private

Referenced by setup_defaults(), and setupMovers().

simple_moves::MinMoverOP protocols::surface_docking::CentroidRelaxMover::shearminmover_
private

Referenced by setupMovers().

moves::MonteCarloOP protocols::surface_docking::CentroidRelaxMover::shearmonteCarlo_
private

Referenced by FinalizeMovers().

core::kinematics::MoveMapOP protocols::surface_docking::CentroidRelaxMover::shearmoveMapOP_
private
simple_moves::ShearMoverOP protocols::surface_docking::CentroidRelaxMover::shearmover_
private

Referenced by setupMovers().

moves::SequenceMoverOP protocols::surface_docking::CentroidRelaxMover::shearsequenceMover_
private

Referenced by FinalizeMovers(), and setupMovers().

moves::TrialMoverOP protocols::surface_docking::CentroidRelaxMover::small_trial_min_mover_
private

Referenced by apply(), and FinalizeMovers().

std::string protocols::surface_docking::CentroidRelaxMover::smallmin_type_
private

Referenced by setup_defaults(), and setupMovers().

simple_moves::MinMoverOP protocols::surface_docking::CentroidRelaxMover::smallminmover_
private

Referenced by setupMovers().

moves::MonteCarloOP protocols::surface_docking::CentroidRelaxMover::smallmonteCarlo_
private

Referenced by FinalizeMovers().

core::kinematics::MoveMapOP protocols::surface_docking::CentroidRelaxMover::smallmoveMapOP_
private
simple_moves::SmallMoverOP protocols::surface_docking::CentroidRelaxMover::smallmover_
private

Referenced by setupMovers().

moves::SequenceMoverOP protocols::surface_docking::CentroidRelaxMover::smallsequenceMover_
private

Referenced by FinalizeMovers(), and setupMovers().

core::Real protocols::surface_docking::CentroidRelaxMover::temperature_
private

Referenced by CentroidRelaxMover(), and setupMovers().


The documentation for this class was generated from the following files: