Rosetta 3.4
Public Types | Public Member Functions | Protected Attributes
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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List of all members.

Public Types

typedef core::Real Real

Public Member Functions

 TrialMover ()
 TrialMover (MoverOP mover_in, MonteCarloOP mc_in)
 Constructs a TrialMover trialmover = TrialMover( mover_in , mc_in )
 ~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.
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
Real acceptance_rate () const
int num_accepts () const
 Returns the number of moves accepted by this TrialMover.
void set_mc (MonteCarloOP mc_in)
 Sets the MonteCarlo object to <mc_in>
MoverOP mover ()
 Returns the underlying Mover.
MonteCarlo const & mc ()
 Returns the underlying MonteCarlo object.
StatsType keep_stats_type () const
void keep_stats_type (StatsType setting)
virtual void set_input_pose (PoseCOP pose)
 setter for poses contained for rms
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
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.

Protected Attributes

MoverOP mover_
MonteCarloOP mc_
MoverStatistics stats_

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_, core::scoring::Energies::total_energy(), and core::scoring::total_score.

Referenced by protocols::docking::DockMCMProtocol::apply(), and 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.

void protocols::moves::TrialMover::initialize_weights ( Real const  start_weight,
Real const  end_weight,
core::scoring::ScoreType  score_type,
int const  ramp_cycles 
) [virtual]

References mc_.

StatsType protocols::moves::TrialMover::keep_stats_type ( ) const [inline]
void protocols::moves::TrialMover::keep_stats_type ( StatsType  setting) [inline]
MonteCarlo const& protocols::moves::TrialMover::mc ( ) [inline]

Returns the underlying MonteCarlo object.

References mc_.

MoverOP protocols::moves::TrialMover::mover ( ) [inline]

Returns the underlying Mover.

References mover_.

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

Returns the number of moves accepted by this TrialMover.

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

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_, and protocols::moves::no_stats.

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

setter for poses contained for rms

Reimplemented from protocols::moves::Mover.

References mover_.

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_.


Member Data Documentation


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