Rosetta 3.4
Public Member Functions | Protected Member Functions
protocols::canonical_sampling::TemperatureController Class Reference

#include <TemperatureController.hh>

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List of all members.

Public Member Functions

 TemperatureController ()
 TemperatureController (TemperatureController const &)
virtual void apply (core::pose::Pose &)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
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.
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).
virtual void observe_after_metropolis (protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
 make a move in temperature space depending on the current score
virtual core::Real temperature_move (core::Real score)=0
 execute the temperatur move ( called by observer_after_metropolis ) returns the current temperatur in kT.
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...
virtual core::Real temperature () const =0
virtual core::Real temperature (core::Size level) const =0
 return temperature of a certain level
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 &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover, core::Size cycle)
virtual core::Size n_temp_levels () const
protocols::moves::MonteCarloCOP monte_carlo () const
void set_monte_carlo (protocols::moves::MonteCarloOP monte_carlo)

Protected Member Functions

protocols::moves::MonteCarloOP monte_carlo ()

Constructor & Destructor Documentation

protocols::canonical_sampling::TemperatureController::TemperatureController ( )
protocols::canonical_sampling::TemperatureController::TemperatureController ( TemperatureController const &  other)

Member Function Documentation

virtual void protocols::canonical_sampling::TemperatureController::apply ( core::pose::Pose ) [inline, virtual]
std::string protocols::canonical_sampling::TemperatureController::get_name ( ) const [virtual]
void protocols::canonical_sampling::TemperatureController::initialize_simulation ( core::pose::Pose pose,
protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover,
core::Size  level,
core::Real  temperature,
core::Size  cycle 
) [virtual]
virtual void protocols::canonical_sampling::TemperatureController::initialize_simulation ( core::pose::Pose pose,
protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover,
core::Size  cycle 
) [inline, virtual]
protocols::moves::MonteCarloOP protocols::canonical_sampling::TemperatureController::monte_carlo ( ) [protected]
protocols::moves::MonteCarloCOP protocols::canonical_sampling::TemperatureController::monte_carlo ( ) const
virtual core::Size protocols::canonical_sampling::TemperatureController::n_temp_levels ( ) const [inline, virtual]
void protocols::canonical_sampling::TemperatureController::observe_after_metropolis ( protocols::canonical_sampling::MetropolisHastingsMover const &  metropolis_hastings_mover) [virtual]

make a move in temperature space depending on the current score

Implements protocols::canonical_sampling::ThermodynamicObserver.

References temperature_move().

virtual bool protocols::canonical_sampling::TemperatureController::reinitialize_for_each_job ( ) const [inline, virtual]

this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use.

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.

virtual bool protocols::canonical_sampling::TemperatureController::reinitialize_for_new_input ( ) const [inline, virtual]

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).

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.

void protocols::canonical_sampling::TemperatureController::set_monte_carlo ( protocols::moves::MonteCarloOP  monte_carlo)

References monte_carlo().

virtual core::Real protocols::canonical_sampling::TemperatureController::temperature ( core::Size  level) const [pure virtual]
virtual core::Real protocols::canonical_sampling::TemperatureController::temperature ( ) const [pure virtual]
virtual core::Size protocols::canonical_sampling::TemperatureController::temperature_level ( ) const [inline, virtual]
virtual core::Real protocols::canonical_sampling::TemperatureController::temperature_move ( core::Real  score) [pure virtual]
core::Real protocols::canonical_sampling::TemperatureController::temperature_move ( core::pose::Pose pose,
core::Real  score 
) [virtual]

second interface for temperature_move - standard implementation calls the pose-less temperature move. hamiltonian exchange needs to evaluate the alternative Hamiltonian though...

execute the temperatur move ( called by observer_after_metropolis ) returns the current temperatur in kT.

Reimplemented in protocols::canonical_sampling::HamiltonianExchange.

References temperature_move().


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