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Rosetta 3.5
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Rosetta 3.5
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#include <TemperatureController.hh>
Public Member Functions | |
| FixedTemperatureController (core::Real temp) | |
| protocols::moves::MoverOP | clone () const |
| clone has to be overridden only if clone invocation is expected. More... | |
| virtual std::string | get_name () const |
| Each derived class must specify its name. The class name. More... | |
| virtual core::Real | temperature_move (core::Real) |
| execute the temperatur move ( called by observer_after_metropolis ) returns the current temperatur in kT. More... | |
| virtual core::Real | temperature () const |
| virtual core::Real | temperature (core::Size) const |
| return temperature of a certain level More... | |
 Public Member Functions inherited from protocols::canonical_sampling::TemperatureController | |
| TemperatureController () | |
| TemperatureController (TemperatureController const &) | |
| virtual void | apply (core::pose::Pose &) |
| 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 void | observe_after_metropolis (protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover) |
| make a move in temperature space depending on the current score More... | |
| virtual core::Real | temperature_move (core::pose::Pose &pose, core::Real score) |
| second interface for temperature_move - standard implementation calls the pose-less temperature move. hamiltonian exchange needs to evaluate the alternative Hamiltonian though... More... | |
| virtual core::Size | temperature_level () const |
| virtual void | initialize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover, core::Size level, core::Real temperature, core::Size cycle) |
| virtual void | initialize_simulation (core::pose::Pose &, protocols::canonical_sampling::MetropolisHastingsMover const &, core::Size) |
| virtual core::Size | n_temp_levels () const |
| protocols::moves::MonteCarloCOP | monte_carlo () const |
| void | set_monte_carlo (protocols::moves::MonteCarloOP monte_carlo) |
| Public Member Functions inherited from protocols::canonical_sampling::ThermodynamicObserver | |
| ThermodynamicObserver () | |
| virtual | ~ThermodynamicObserver () |
| virtual bool | restart_simulation (core::pose::Pose &, protocols::canonical_sampling::MetropolisHastingsMover &, core::Size &, core::Size &, core::Real &) |
| callback executed before any Monte Carlo trials More... | |
| virtual void | finalize_simulation (core::pose::Pose &, protocols::canonical_sampling::MetropolisHastingsMover const &) |
| callback executed after all Monte Carlo trials More... | |
| virtual bool | requires_pose () |
| return false here if a valid pose is not required for "observe" i.e. a trialcounter 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) |
| 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 Strings & | info () |
| non-const accessor More... | |
| virtual Strings const & | info () const |
| const accessor 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 | |
| core::Real | temperature_ |
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::canonical_sampling::TemperatureController | |
| protocols::moves::MonteCarloOP | monte_carlo () |
Definition at line 137 of file TemperatureController.hh.
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inline |
Definition at line 139 of file TemperatureController.hh.
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inlinevirtual |
clone has to be overridden only if clone invocation is expected.
clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.
Reimplemented from protocols::moves::Mover.
Definition at line 143 of file TemperatureController.hh.
References temperature_.
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inlinevirtual |
Each derived class must specify its name. The class name.
Reimplemented from protocols::canonical_sampling::TemperatureController.
Definition at line 147 of file TemperatureController.hh.
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inlinevirtual |
Implements protocols::canonical_sampling::TemperatureController.
Definition at line 152 of file TemperatureController.hh.
References temperature_.
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inlinevirtual |
return temperature of a certain level
Implements protocols::canonical_sampling::TemperatureController.
Definition at line 155 of file TemperatureController.hh.
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inlinevirtual |
execute the temperatur move ( called by observer_after_metropolis ) returns the current temperatur in kT.
Implements protocols::canonical_sampling::TemperatureController.
Definition at line 150 of file TemperatureController.hh.
References temperature_.
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private |
Definition at line 155 of file TemperatureController.hh.
Referenced by clone(), temperature(), and temperature_move().
1.8.4