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protocols::simple_filters::EvaluatedTrialMover Class Reference

#include <EvaluatedTrialMover.hh>

Inheritance diagram for protocols::simple_filters::EvaluatedTrialMover:
Inheritance graph
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Public Member Functions

 EvaluatedTrialMover (moves::MoverOP mover_in, moves::MonteCarloOP mc_in, evaluation::PoseEvaluatorOP evaluator_in, std::string const &tag)
 c'stor More...
 
 ~EvaluatedTrialMover () override
 
void apply (core::pose::Pose &pose) override
 apply does a single trial (which is a mover apply and a boltzmann) More...
 
std::string get_name () const override
 Each derived class must specify its name. The class name. More...
 
void dump_file (std::string fn)
 write all collected output to file (appends if file exist ) More...
 
- Public Member Functions inherited from protocols::moves::TrialMover
 TrialMover ()
 
 TrialMover (MoverOP mover_in, MonteCarloOP mc_in)
 Constructs a TrialMover trialmover = TrialMover( mover_in , mc_in ) More...
 
 TrialMover (TrialMover const &object_to_copy)
 Copy constructor. More...
 
 ~TrialMover () override
 
virtual void initialize_weights (Real const start_weight, Real const end_weight, core::scoring::ScoreType score_type, int const ramp_cycles)
 
protocols::moves::MoverOP clone () const override
 Return a clone of the Mover object. More...
 
protocols::moves::MoverOP fresh_instance () const override
 Generates a new Mover object freshly created with the default ctor. 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)
 
void set_input_pose (PoseCOP pose) override
 setter for poses contained for rms More...
 
void set_native_pose (PoseCOP pose) override
 setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More...
 
void parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) override
 Requires that a MonteCarlo object has already been loaded into the basic::datacache::DataMap in a prior MONTECARLOS objects section. More...
 
- Public Member Functions inherited from protocols::moves::Mover
 Mover ()
 
virtual MoverOP create ()
 
MoverCOP get_self_ptr () const
 
MoverOP get_self_ptr ()
 
MoverCAP get_self_weak_ptr () const
 
MoverAP get_self_weak_ptr ()
 
 Mover (std::string const &type_name)
 sets the type for a mover; name_ has been removed (2010/05/14) More...
 
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...
 
virtual bool reinitialize_for_each_job () const
 Inform 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
 Inform 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...
 
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...
 
void set_type (std::string const &setting)
 Set the 'type' string. More...
 
std::string get_type () const
 
void type (const std::string &type_in)
 Set the 'type' string. More...
 
std::string const & type () const
 Get the set 'type' string. More...
 
PoseCOP get_input_pose () const
 
PoseCOP get_native_pose () const
 
void set_current_job (protocols::jobdist::BasicJobCOP job)
 
jobdist::BasicJobCOP get_current_job () const
 
virtual void set_current_tag (std::string const &new_tag)
 
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...
 
virtual void show (std::ostream &output=std::cout) const
 Outputs details about the Mover, including current settings. More...
 
virtual core::Real last_proposal_density_ratio ()
 
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 void provide_citation_info (basic::citation_manager::CitationCollectionList &) const
 Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...
 

Private Types

typedef utility::vector1
< core::io::silent::SilentStructOP
SilentInfoList
 

Private Attributes

evaluation::MetaPoseEvaluatorOP evaluator_
 
SilentInfoList evals_
 
std::string tag_
 

Additional Inherited Members

- Public Types inherited from protocols::moves::TrialMover
typedef core::Real Real
 
- Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP TagCOP
 
typedef core::pose::Pose Pose
 
typedef core::pose::PoseCOP PoseCOP
 
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. 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...
 
- Protected Attributes inherited from protocols::moves::TrialMover
MoverOP mover_
 
MonteCarloOP mc_
 
MoverStatistics stats_
 

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::simple_filters::EvaluatedTrialMover::EvaluatedTrialMover ( moves::MoverOP  mover_in,
moves::MonteCarloOP  mc_in,
evaluation::PoseEvaluatorOP  evaluator_in,
std::string const &  tag 
)

c'stor

References evaluator_.

protocols::simple_filters::EvaluatedTrialMover::~EvaluatedTrialMover ( )
overridedefault

Member Function Documentation

void protocols::simple_filters::EvaluatedTrialMover::apply ( core::pose::Pose pose)
overridevirtual
void protocols::simple_filters::EvaluatedTrialMover::dump_file ( std::string  fn)

write all collected output to file (appends if file exist )

References evals_.

std::string protocols::simple_filters::EvaluatedTrialMover::get_name ( ) const
overridevirtual

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

Reimplemented from protocols::moves::TrialMover.

Member Data Documentation

SilentInfoList protocols::simple_filters::EvaluatedTrialMover::evals_
private

Referenced by apply(), and dump_file().

evaluation::MetaPoseEvaluatorOP protocols::simple_filters::EvaluatedTrialMover::evaluator_
private

Referenced by apply(), and EvaluatedTrialMover().

std::string protocols::simple_filters::EvaluatedTrialMover::tag_
private

Referenced by apply().


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