Rosetta Protocols  2014.35
Public Member Functions | Private Attributes | List of all members
protocols::canonical_sampling::FixedTemperatureController Class Reference

Maintain a constant temperature. More...

#include <TemperatureController.hh>

Public Member Functions

 FixedTemperatureController (core::Real temp)
 Constructor with temperature parameter. More...
 
protocols::moves::MoverOP clone () const
 Return a copy of this mover. More...
 
virtual std::string get_name () const
 Return the name of this class. More...
 
virtual core::Real temperature_move (core::Real)
 Return the same constant temperature every time. More...
 
virtual core::Real temperature () const
 Return the current temperature. More...
 
virtual core::Real temperature (core::Size) const
 Set the current temperature to match given level. More...
 
- Public Member Functions inherited from protocols::canonical_sampling::TemperatureController
 TemperatureController ()
 Default constructor. More...
 
 TemperatureController (TemperatureController const &)
 Copy constructor. More...
 
virtual void apply (core::pose::Pose &)
 No-op implemented only to satisfy the Mover interface. More...
 
virtual bool reinitialize_for_each_job () const
 Return false. This class does not need to be reinitialized for each job. More...
 
virtual bool reinitialize_for_new_input () const
 Return false. This class does not need to be reinitialized for new input. More...
 
virtual void observe_after_metropolis (MetropolisHastingsMover const &metropolis_hastings_mover)
 Callback executed after the Metropolis criterion is evaluated. More...
 
virtual core::Real temperature_move (core::pose::Pose &pose)
 Execute a temperature move which depends on the current pose. More...
 
virtual core::Size temperature_level () const
 Return the current temperature level. More...
 
virtual GridCoord level_2_grid_coord (core::Size level) const
 
virtual core::Size exchange_grid_dim () const
 
virtual core::Size nlevels_per_dim (core::Size) const
 
virtual void initialize_simulation (core::pose::Pose &pose, MetropolisHastingsMover const &metropolis_hastings_mover, core::Size level, core::Real temperature, core::Size cycle)
 
virtual void initialize_simulation (core::pose::Pose &, MetropolisHastingsMover const &, core::Size)
 Callback executed before any Monte Carlo trials are attempted. More...
 
virtual core::Size n_temp_levels () const
 Return the number of temperature levels used by this controller. More...
 
protocols::moves::MonteCarloCOP monte_carlo () const
 Return const access to the MonteCarlo object being controlled. More...
 
virtual bool finished_simulation (core::Size trials, core::Size ntrials)
 Return true if the simulation has been completed. More...
 
virtual void set_monte_carlo (protocols::moves::MonteCarloOP monte_carlo)
 Set the MonteCarlo object to be controlled. More...
 
- Public Member Functions inherited from protocols::canonical_sampling::ThermodynamicObserver
 ThermodynamicObserver ()
 Default constructor. More...
 
virtual ~ThermodynamicObserver ()
 Destructor. More...
 
virtual void finalize_simulation (core::pose::Pose &, MetropolisHastingsMover const &)
 Callback executed after all Monte Carlo trials are completed. More...
 
virtual bool restart_simulation (core::pose::Pose &, MetropolisHastingsMover &, core::Size &, core::Size &, core::Real &)
 Attempt to restart the last simulation that was recorded by this observer. More...
 
virtual bool requires_pose ()
 Return false if this observer does not require a valid pose. TrialCounterObserver is an example of such an observer. 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)
 
Moveroperator= (Mover const &other)
 assignment operator More...
 
virtual core::Real last_proposal_density_ratio ()
 
std::string const & type () const
 
void set_type (std::string const &setting)
 
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 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 Stringsinfo ()
 non-const accessor More...
 
virtual Strings const & info () const
 const accessor 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 Attributes

core::Real temperature_
 

Additional Inherited Members

- Public Types inherited from protocols::canonical_sampling::TemperatureController
typedef utility::vector1
< core::Size
GridCoord
 
- 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::stringStrings
 
- 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::canonical_sampling::TemperatureController
protocols::moves::MonteCarloOP monte_carlo ()
 Return non-const access to the MonteCarlo object being controlled. 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...
 

Detailed Description

Maintain a constant temperature.

This is the default temperature controller used by MetropolisHastingsMover.

Constructor & Destructor Documentation

protocols::canonical_sampling::FixedTemperatureController::FixedTemperatureController ( core::Real  temp)
inline

Constructor with temperature parameter.

Member Function Documentation

protocols::moves::MoverOP protocols::canonical_sampling::FixedTemperatureController::clone ( ) const
inlinevirtual

Return a copy of this mover.

Reimplemented from protocols::moves::Mover.

References temperature_.

virtual std::string protocols::canonical_sampling::FixedTemperatureController::get_name ( ) const
inlinevirtual

Return the name of this class.

Reimplemented from protocols::canonical_sampling::TemperatureController.

virtual core::Real protocols::canonical_sampling::FixedTemperatureController::temperature ( ) const
inlinevirtual

Return the current temperature.

Implements protocols::canonical_sampling::TemperatureController.

References temperature_.

virtual core::Real protocols::canonical_sampling::FixedTemperatureController::temperature ( core::Size  level) const
inlinevirtual

Set the current temperature to match given level.

Implements protocols::canonical_sampling::TemperatureController.

virtual core::Real protocols::canonical_sampling::FixedTemperatureController::temperature_move ( core::Real  )
inlinevirtual

Return the same constant temperature every time.

Implements protocols::canonical_sampling::TemperatureController.

References temperature_.

Member Data Documentation

core::Real protocols::canonical_sampling::FixedTemperatureController::temperature_
private

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