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

#include <MetropolisHastingsMover.hh>

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List of all members.

Public Member Functions

 MetropolisHastingsMover ()
 MetropolisHastingsMover (MetropolisHastingsMover const &metropolis_hastings_mover)
virtual ~MetropolisHastingsMover ()
virtual void apply (core::pose::Pose &pose)
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
protocols::moves::MoverOP clone () const
 clone has to be overridden only if clone invocation is expected.
virtual protocols::moves::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).
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 parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::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.
protocols::moves::MonteCarloCOP monte_carlo () const
void set_monte_carlo (protocols::moves::MonteCarloOP monte_carlo)
void set_tempering (TemperatureControllerOP)
TemperatureControllerCOP tempering () const
core::Size ntrials () const
void set_ntrials (core::Size ntrials)
std::string const & output_name () const
void set_output_name (std::string const &output_name)
std::string output_file_name (std::string const &suffix, bool cumulate_jobs=false, bool cumulate_replicas=false) const
bool finished () const
ThermodynamicMoverOP random_mover ()
virtual void add_mover (ThermodynamicMoverOP mover, core::Real weight)
void add_backrub_mover (core::Real weight)
void add_small_mover (core::Real weight)
void add_shear_mover (core::Real weight)
void add_sidechain_mover (core::Real weight, core::Real prob_uniform, core::Real prob_withinrot, bool preserve_cbeta)
void add_sidechain_mc_mover (core::Real weight, core::Real prob_uniform, core::Real prob_withinrot, bool preserve_cbeta, core::Size ntrials)
void add_observer (ThermodynamicObserverOP observer)
ThermodynamicMover const & last_move () const
bool last_accepted () const

Protected Types

typedef utility::vector1
< ThermodynamicObserverOP
ObserverList

Protected Member Functions

TemperatureControllerOP const & tempering ()
void wind_down_simulation (core::pose::Pose &pose)
core::Size prepare_simulation (core::pose::Pose &pose)
void set_last_accepted (bool setting)
void set_last_move (ThermodynamicMoverOP setting)
ObserverList const & observers ()
protocols::moves::MonteCarlononconst_monte_carlo ()

Member Typedef Documentation


Constructor & Destructor Documentation

protocols::canonical_sampling::MetropolisHastingsMover::MetropolisHastingsMover ( )

Referenced by clone(), and fresh_instance().

protocols::canonical_sampling::MetropolisHastingsMover::MetropolisHastingsMover ( MetropolisHastingsMover const &  metropolis_hastings_mover)
protocols::canonical_sampling::MetropolisHastingsMover::~MetropolisHastingsMover ( ) [virtual]

Member Function Documentation

void protocols::canonical_sampling::MetropolisHastingsMover::add_backrub_mover ( core::Real  weight)

References add_mover().

void protocols::canonical_sampling::MetropolisHastingsMover::add_mover ( ThermodynamicMoverOP  mover,
core::Real  weight 
) [virtual]
void protocols::canonical_sampling::MetropolisHastingsMover::add_observer ( ThermodynamicObserverOP  observer)

Referenced by parse_my_tag().

void protocols::canonical_sampling::MetropolisHastingsMover::add_shear_mover ( core::Real  weight)
void protocols::canonical_sampling::MetropolisHastingsMover::add_sidechain_mc_mover ( core::Real  weight,
core::Real  prob_uniform,
core::Real  prob_withinrot,
bool  preserve_cbeta,
core::Size  ntrials 
)
void protocols::canonical_sampling::MetropolisHastingsMover::add_sidechain_mover ( core::Real  weight,
core::Real  prob_uniform,
core::Real  prob_withinrot,
bool  preserve_cbeta 
)
void protocols::canonical_sampling::MetropolisHastingsMover::add_small_mover ( core::Real  weight)
void protocols::canonical_sampling::MetropolisHastingsMover::apply ( core::pose::Pose pose) [virtual]
protocols::moves::MoverOP protocols::canonical_sampling::MetropolisHastingsMover::clone ( ) const [virtual]

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.

Reimplemented in protocols::canonical_sampling::SidechainMetropolisHastingsMover.

References MetropolisHastingsMover().

bool protocols::canonical_sampling::MetropolisHastingsMover::finished ( ) const
protocols::moves::MoverOP protocols::canonical_sampling::MetropolisHastingsMover::fresh_instance ( ) const [virtual]

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).

fresh_instance is meant to return a new object of this class, created with the default constructor. 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. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

Reimplemented in protocols::canonical_sampling::SidechainMetropolisHastingsMover.

References MetropolisHastingsMover().

std::string protocols::canonical_sampling::MetropolisHastingsMover::get_name ( ) const [virtual]

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

Implements protocols::moves::Mover.

Reimplemented in protocols::canonical_sampling::SidechainMetropolisHastingsMover.

bool protocols::canonical_sampling::MetropolisHastingsMover::last_accepted ( ) const [inline]
ThermodynamicMover const & protocols::canonical_sampling::MetropolisHastingsMover::last_move ( ) const
protocols::moves::MonteCarloCOP protocols::canonical_sampling::MetropolisHastingsMover::monte_carlo ( ) const
protocols::moves::MonteCarlo & protocols::canonical_sampling::MetropolisHastingsMover::nonconst_monte_carlo ( ) [protected]
core::Size protocols::canonical_sampling::MetropolisHastingsMover::ntrials ( ) const [inline]
ObserverList const& protocols::canonical_sampling::MetropolisHastingsMover::observers ( ) [inline, protected]
std::string protocols::canonical_sampling::MetropolisHastingsMover::output_file_name ( std::string const &  suffix,
bool  cumulate_jobs = false,
bool  cumulate_replicas = false 
) const
std::string const & protocols::canonical_sampling::MetropolisHastingsMover::output_name ( ) const
void protocols::canonical_sampling::MetropolisHastingsMover::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  filters,
protocols::moves::Movers_map const &  movers,
core::pose::Pose const &  pose 
) [virtual]

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.

Reimplemented from protocols::moves::Mover.

Reimplemented in protocols::canonical_sampling::SidechainMetropolisHastingsMover.

References add_mover(), add_observer(), protocols::moves::MoverFactory::get_instance(), protocols::moves::MoverFactory::newMover(), protocols::rosetta_scripts::parse_score_function(), set_tempering(), and protocols::TR().

Referenced by protocols::canonical_sampling::SidechainMetropolisHastingsMover::parse_my_tag().

core::Size protocols::canonical_sampling::MetropolisHastingsMover::prepare_simulation ( core::pose::Pose pose) [protected]
ThermodynamicMoverOP protocols::canonical_sampling::MetropolisHastingsMover::random_mover ( )
bool protocols::canonical_sampling::MetropolisHastingsMover::reinitialize_for_each_job ( ) const [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.

bool protocols::canonical_sampling::MetropolisHastingsMover::reinitialize_for_new_input ( ) const [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::MetropolisHastingsMover::set_last_accepted ( bool  setting) [inline, protected]
void protocols::canonical_sampling::MetropolisHastingsMover::set_last_move ( ThermodynamicMoverOP  setting) [protected]
void protocols::canonical_sampling::MetropolisHastingsMover::set_monte_carlo ( protocols::moves::MonteCarloOP  monte_carlo)

References monte_carlo().

void protocols::canonical_sampling::MetropolisHastingsMover::set_ntrials ( core::Size  ntrials)

References ntrials().

void protocols::canonical_sampling::MetropolisHastingsMover::set_output_name ( std::string const &  output_name)
void protocols::canonical_sampling::MetropolisHastingsMover::set_tempering ( TemperatureControllerOP  tempering)

References tempering().

Referenced by parse_my_tag().

TemperatureControllerOP const& protocols::canonical_sampling::MetropolisHastingsMover::tempering ( ) [inline, protected]
TemperatureControllerCOP protocols::canonical_sampling::MetropolisHastingsMover::tempering ( ) const
void protocols::canonical_sampling::MetropolisHastingsMover::wind_down_simulation ( core::pose::Pose pose) [protected]

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