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Rosetta Protocols
2014.16.56682
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Rosetta Protocols
2014.16.56682
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Maintain a constant temperature. More...
#include <FixedTemperatureController.hh>
Public Member Functions | |
| FixedTemperatureController (core::Real temp) | |
| Constructor with temperature parameter. More... | |
| ~FixedTemperatureController () | |
| Default destructor. More... | |
| protocols::moves::MoverOP | clone () const |
| Return a copy of this mover. More... | |
| void | init_from_options () |
| Ignore any command-line options. More... | |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| virtual core::Real | temperature_move (core::pose::Pose &pose, MetropolisHastingsMover &mover, core::Real score) |
| Return the same constant temperature every time. More... | |
 Public Member Functions inherited from protocols::canonical_sampling::TemperatureController | |
| TemperatureController () | |
| Default constructor. More... | |
| TemperatureController (TemperatureController const &other) | |
| Default 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 | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data, protocols::filters::Filters_map const &filters, protocols::moves::Movers_map const &movers, core::pose::Pose const &pose) |
| Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
| virtual void | initialize_simulation (core::pose::Pose &pose, MetropolisHastingsMover const &mover, core::Size cycle) |
| Callback executed before any Monte Carlo trials are attempted. More... | |
| virtual void | finalize_simulation (core::pose::Pose &pose, MetropolisHastingsMover const &mover) |
| Callback executed after all Monte Carlo trials are completed. More... | |
| core::Real | temperature () const |
| Return the temperature of the underlying MonteCarlo object. More... | |
| core::Real | temperature (core::Size level) const |
| Return the temperature of the given level. More... | |
| core::Size | temperature_level () const |
| Return the current temperature level. More... | |
| 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... | |
| void | set_monte_carlo (protocols::moves::MonteCarloOP monte_carlo) |
| Set the MonteCarlo object to be controlled. 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) |
| 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 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... | |
Additional Inherited Members | |
| 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::string > | Strings |
| Static Public Member Functions inherited from protocols::canonical_sampling::TemperatureController | |
| static void | register_options () |
| Register the options used by this mover with the global options system. More... | |
| 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... | |
| void | set_defaults () |
| Help the constructor initialize new objects. More... | |
| virtual bool | init_from_file (std::string const &filename) |
| Initialize temperatures and weights from a file. More... | |
| virtual void | write_to_file (std::string const &file_in, std::string const &output_name, utility::vector1< core::Real > const &wcounts) |
| Save temperatures and weights to a file. More... | |
| void | generate_temp_range (core::Real temp_low, core::Real temp_high, core::Size n_levels, InterpolationType interpolation=linear) |
| Explicitly set the temperature levels by interpolating the given parameters. More... | |
| void | set_temperatures (utility::vector1< core::Real > const &) |
| Explicitly set the temperature levels. More... | |
| core::Size | current_temp () |
| Return the current temperature level. Identical to temperature_level() as far as I can tell. More... | |
| void | set_current_temp (core::Size new_temp) |
| Set the temperature to the given level. More... | |
| bool | check_temp_consistency () |
| Assert that the current temperature of the MonteCarlo object agrees with the current temperature level of this object. More... | |
| void | clear () |
| Forget all temperature levels and return to an uninitialized state. More... | |
| bool | time_for_temp_move () |
| Return true if a temperature move should be made on this iteration. More... | |
| bool | stats_line_output () const |
| Return true if a statistics summary should be written. More... | |
| bool | stats_silent_output () const |
| Return true if a statistics summary should be inserted into a silent file. More... | |
| std::string const & | stats_file () const |
| Return the name of the silent file into which statistics should be recorded. 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... | |
Maintain a constant temperature.
This is the default temperature controller used by MetropolisHastingsMover.
| protocols::canonical_sampling::FixedTemperatureController::FixedTemperatureController | ( | core::Real | temp | ) |
Constructor with temperature parameter.
References make_vector1(), and protocols::canonical_sampling::TemperatureController::set_temperatures().
Referenced by clone().
| protocols::canonical_sampling::FixedTemperatureController::~FixedTemperatureController | ( | ) |
Default destructor.
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virtual |
Return a copy of this mover.
Reimplemented from protocols::moves::Mover.
References FixedTemperatureController(), and protocols::canonical_sampling::TemperatureController::temperature().
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inlinevirtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
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inlinevirtual |
Ignore any command-line options.
Reimplemented from protocols::canonical_sampling::TemperatureController.
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virtual |
Return the same constant temperature every time.
Implements protocols::canonical_sampling::TemperatureController.
References protocols::canonical_sampling::TemperatureController::temperature().
1.8.7