Rosetta 3.5
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Types | Public Member Functions | Private Attributes | List of all members
protocols::surface_docking::FullatomRelaxMover Class Reference

#include <FullatomRelaxMover.hh>

Inheritance diagram for protocols::surface_docking::FullatomRelaxMover:
Inheritance graph
Collaboration diagram for protocols::surface_docking::FullatomRelaxMover:
Collaboration graph

Public Types

typedef core::Real Real
- Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagPtr TagPtr
typedef core::pose::Pose Pose
typedef core::pose::PoseCOP PoseCOP
typedef std::list< std::string > Strings

Public Member Functions

 FullatomRelaxMover ()
 ~FullatomRelaxMover ()
void apply (core::pose::Pose &)
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 setupMovers ()
void FinalizeMovers (core::pose::Pose &)
void init_from_options ()
void set_smallmovesize (Size scale)
void set_ljrepulsion_weight (core::Real weight_scale)
void set_ecounter (core::Size ecount)
void CalcSecondayStruct (core::pose::Pose &pose)
std::string getSecondayStruct ()
- 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::Real kT_
core::Size nmoves_
core::Size encounter_
core::Size encounter_cycle_
std::map< char, core::Realangle_max_
core::scoring::ScoreFunctionOP score_high_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_
std::string SecStruct_

Additional Inherited Members

- 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...

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::surface_docking::FullatomRelaxMover::FullatomRelaxMover ( )
protocols::surface_docking::FullatomRelaxMover::~FullatomRelaxMover ( )

Member Function Documentation

void protocols::surface_docking::FullatomRelaxMover::apply ( core::pose::Pose pose)
void protocols::surface_docking::FullatomRelaxMover::CalcSecondayStruct ( core::pose::Pose pose)
void protocols::surface_docking::FullatomRelaxMover::FinalizeMovers ( core::pose::Pose pose)
std::string protocols::surface_docking::FullatomRelaxMover::get_name ( ) const

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

Implements protocols::moves::Mover.

std::string protocols::surface_docking::FullatomRelaxMover::getSecondayStruct ( )

References SecStruct_.

void protocols::surface_docking::FullatomRelaxMover::init_from_options ( )

References benchmark_.

void protocols::surface_docking::FullatomRelaxMover::set_ecounter ( core::Size  ecount)

References encounter_.

void protocols::surface_docking::FullatomRelaxMover::set_ljrepulsion_weight ( core::Real  weight_scale)
void protocols::surface_docking::FullatomRelaxMover::set_nmoves ( const core::Size  nmoves_in)

References nmoves_.

void protocols::surface_docking::FullatomRelaxMover::set_smallmovesize ( Size  scale)

References smallmover_.

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

Member Data Documentation

std::map< char, core::Real > protocols::surface_docking::FullatomRelaxMover::angle_max_
bool protocols::surface_docking::FullatomRelaxMover::benchmark_
core::Size protocols::surface_docking::FullatomRelaxMover::encounter_

Referenced by apply(), and set_ecounter().

core::Size protocols::surface_docking::FullatomRelaxMover::encounter_cycle_

Referenced by apply(), and setup_defaults().

core::Real protocols::surface_docking::FullatomRelaxMover::kT_
moves::MonteCarloOP protocols::surface_docking::FullatomRelaxMover::monteCarlo_

Referenced by apply(), and FinalizeMovers().

core::kinematics::MoveMapOP protocols::surface_docking::FullatomRelaxMover::moveMapOP_

Referenced by apply(), FinalizeMovers(), and setupMovers().

core::Size protocols::surface_docking::FullatomRelaxMover::nmoves_
core::scoring::ScoreFunctionOP protocols::surface_docking::FullatomRelaxMover::score_high_res_
std::string protocols::surface_docking::FullatomRelaxMover::SecStruct_
moves::TrialMoverOP protocols::surface_docking::FullatomRelaxMover::shear_trial_min_mover_

Referenced by apply(), and FinalizeMovers().

std::string protocols::surface_docking::FullatomRelaxMover::shearmin_type_

Referenced by setup_defaults(), and setupMovers().

simple_moves::MinMoverOP protocols::surface_docking::FullatomRelaxMover::shearminmover_

Referenced by apply(), and setupMovers().

moves::MonteCarloOP protocols::surface_docking::FullatomRelaxMover::shearmonteCarlo_

Referenced by FinalizeMovers().

core::kinematics::MoveMapOP protocols::surface_docking::FullatomRelaxMover::shearmoveMapOP_
simple_moves::ShearMoverOP protocols::surface_docking::FullatomRelaxMover::shearmover_

Referenced by setupMovers().

moves::SequenceMoverOP protocols::surface_docking::FullatomRelaxMover::shearsequenceMover_

Referenced by FinalizeMovers(), and setupMovers().

moves::TrialMoverOP protocols::surface_docking::FullatomRelaxMover::small_trial_min_mover_

Referenced by apply(), and FinalizeMovers().

std::string protocols::surface_docking::FullatomRelaxMover::smallmin_type_

Referenced by setup_defaults(), and setupMovers().

simple_moves::MinMoverOP protocols::surface_docking::FullatomRelaxMover::smallminmover_

Referenced by apply(), and setupMovers().

moves::MonteCarloOP protocols::surface_docking::FullatomRelaxMover::smallmonteCarlo_

Referenced by FinalizeMovers().

core::kinematics::MoveMapOP protocols::surface_docking::FullatomRelaxMover::smallmoveMapOP_
simple_moves::SmallMoverOP protocols::surface_docking::FullatomRelaxMover::smallmover_

Referenced by set_smallmovesize(), and setupMovers().

moves::SequenceMoverOP protocols::surface_docking::FullatomRelaxMover::smallsequenceMover_

Referenced by FinalizeMovers(), and setupMovers().

core::Real protocols::surface_docking::FullatomRelaxMover::temperature_

Referenced by FullatomRelaxMover(), and setupMovers().

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