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protocols::moves::TrialMover Class Reference

A TrialMover applies a Mover and then accepts or rejects the move according to a MonteCarlo object. More...

#include <TrialMover.hh>

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Public Types

typedef core::Real Real
 
- 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
 

Public Member Functions

 TrialMover ()
 
 TrialMover (MoverOP mover_in, MonteCarloOP mc_in)
 Constructs a TrialMover trialmover = TrialMover( mover_in , mc_in ) More...
 
 ~TrialMover ()
 
virtual void initialize_weights (Real const start_weight, Real const end_weight, core::scoring::ScoreType score_type, int const ramp_cycles)
 
virtual void apply (core::pose::Pose &pose)
 Performs a single trial, apply the Mover and accept or reject the move based on the MonteCarlo acceptance criteria. More...
 
virtual std::string get_name () const
 Each derived class must specify its name. The class name. More...
 
Real acceptance_rate () const
 
int num_accepts () const
 Returns the number of moves accepted by this TrialMover. More...
 
void set_mc (MonteCarloOP mc_in)
 Sets the MonteCarlo object to <mc_in> More...
 
MoverOP mover () const
 Returns the underlying Mover. More...
 
MonteCarlo const & mc () const
 Returns the underlying MonteCarlo object. More...
 
StatsType keep_stats_type () const
 
void keep_stats_type (StatsType setting)
 
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...
 
virtual void parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &)
 Requires that a MonteCarlo object has already been loaded into the DataMap in a prior MONTECARLOS objects section. 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
 
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)
 
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 MoverOP clone () const
 clone has to be overridden only if clone invocation is expected. 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 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 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
 

Protected Attributes

MoverOP mover_
 
MonteCarloOP mc_
 
MoverStatistics stats_
 

Private Attributes

Real start_weight_
 
Real original_weight
 
Real ramp_weight
 
Real delta
 
StatsType stats_type_
 

Friends

std::ostream & operator<< (std::ostream &os, TrialMover const &mover)
 

Additional Inherited Members

- 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::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

A TrialMover applies a Mover and then accepts or rejects the move according to a MonteCarlo object.

Common Methods: TrialMover.apply TrialMover.set_mc

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::moves::TrialMover::TrialMover ( )
protocols::moves::TrialMover::TrialMover ( MoverOP  mover_in,
MonteCarloOP  mc_in 
)

Constructs a TrialMover trialmover = TrialMover( mover_in , mc_in )

Mover mover_in /object defining what move to make MonteCarlo mc_in /object defining acceptance

References mc_, and mover_.

protocols::moves::TrialMover::~TrialMover ( )

Member Function Documentation

Real protocols::moves::TrialMover::acceptance_rate ( ) const
void protocols::moves::TrialMover::apply ( core::pose::Pose pose)
virtual

Performs a single trial, apply the Mover and accept or reject the move based on the MonteCarlo acceptance criteria.

: the apply function for a trial

example(s): trialmover.apply(pose) See Also: Pose MonteCarlo MonteCarlo.boltzmann RepeatMover SequenceMover TrialMover

TrialMover::apply()

Detailed::
the trial object is created with an mc object the mover is applied before doing an mc.boltzmann
Author
: Monica Berrondo

Implements protocols::moves::Mover.

Reimplemented in protocols::simple_filters::EvaluatedTrialMover.

References protocols::moves::accept_reject, protocols::moves::MoverStatistics::accepted(), protocols::moves::MoverStatistics::add_score(), protocols::moves::all_stats, core::pose::Pose::energies(), keep_stats_type(), mc_, mover_, protocols::moves::no_stats, protocols::moves::MoverStatistics::print(), stats_, stats_type_, core::scoring::Energies::total_energy(), and core::scoring::total_score.

Referenced by protocols::loops::loop_closure::ccd::LoopClosure::do_frag_cycles().

std::string protocols::moves::TrialMover::get_name ( ) const
virtual

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

Implements protocols::moves::Mover.

Reimplemented in protocols::simple_filters::EvaluatedTrialMover.

Referenced by protocols::moves::operator<<().

void protocols::moves::TrialMover::initialize_weights ( Real const  start_weight,
Real const  end_weight,
core::scoring::ScoreType  score_type,
int const  ramp_cycles 
)
virtual
StatsType protocols::moves::TrialMover::keep_stats_type ( ) const
inline
void protocols::moves::TrialMover::keep_stats_type ( StatsType  setting)
inline

References stats_type_.

MonteCarlo const& protocols::moves::TrialMover::mc ( ) const
inline

Returns the underlying MonteCarlo object.

References mc_.

MoverOP protocols::moves::TrialMover::mover ( ) const
inline

Returns the underlying Mover.

References mover_.

Referenced by protocols::moves::operator<<().

int protocols::moves::TrialMover::num_accepts ( ) const

Returns the number of moves accepted by this TrialMover.

References protocols::moves::MoverStatistics::num_accepted(), and stats_.

Referenced by protocols::moves::operator<<().

void protocols::moves::TrialMover::parse_my_tag ( TagPtr const  tag,
DataMap data,
Filters_map const &  filters,
Movers_map const &  movers,
Pose const &   
)
virtual

Requires that a MonteCarlo object has already been loaded into the DataMap in a prior MONTECARLOS objects section.

Reimplemented from protocols::moves::Mover.

References protocols::moves::accept_reject, protocols::moves::all_stats, protocols::moves::DataMap::get(), mc_, mover_, protocols::moves::no_stats, and stats_type_.

void protocols::moves::TrialMover::set_input_pose ( PoseCOP  pose)
virtual

setter for poses contained for rms

Reimplemented from protocols::moves::Mover.

References mover_, and protocols::moves::Mover::set_input_pose().

void protocols::moves::TrialMover::set_mc ( MonteCarloOP  mc_in)

Sets the MonteCarlo object to <mc_in>

example(s): trialmover.set_mc(mc) See Also: MonteCarlo MonteCarlo.boltzmann TrialMover

References mc_.

void protocols::moves::TrialMover::set_native_pose ( PoseCOP  pose)
virtual

setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe

Reimplemented from protocols::moves::Mover.

References mover_, and protocols::moves::Mover::set_native_pose().

Friends And Related Function Documentation

std::ostream& operator<< ( std::ostream &  os,
TrialMover const &  mover 
)
friend

Member Data Documentation

Real protocols::moves::TrialMover::delta
private

Referenced by initialize_weights().

MonteCarloOP protocols::moves::TrialMover::mc_
protected
MoverOP protocols::moves::TrialMover::mover_
protected
Real protocols::moves::TrialMover::original_weight
private

Referenced by initialize_weights().

Real protocols::moves::TrialMover::ramp_weight
private

Referenced by initialize_weights().

Real protocols::moves::TrialMover::start_weight_
private

Referenced by initialize_weights().

MoverStatistics protocols::moves::TrialMover::stats_
protected
StatsType protocols::moves::TrialMover::stats_type_
private

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