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protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover Class Reference

#include <RNA_SWA_MonteCarloMover.hh>

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Collaboration diagram for protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover:
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Public Member Functions

 RNA_SWA_MonteCarloMover (RNA_AddOrDeleteMoverOP rna_add_or_delete_mover, RNA_TorsionMoverOP rna_torsion_mover, RNA_O2StarMoverOP rna_o2star_mover, core::scoring::ScoreFunctionOP scorefxn)
 
 ~RNA_SWA_MonteCarloMover ()
 
virtual void apply (core::pose::Pose &pose_to_visualize)
 Apply the minimizer to one pose. More...
 
virtual std::string get_name () const
 Each derived class must specify its name. The class name. More...
 
void set_kT (core::Real const &setting)
 
void set_sample_range_small (core::Real const setting)
 
void set_sample_range_large (core::Real const setting)
 
void set_num_cycles (Size const setting)
 
void set_output_period (Size const setting)
 
void set_do_add_delete (bool const setting)
 
void set_silent_file (std::string const setting)
 
- 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)
 
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...
 
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...
 
virtual void parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. 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
 

Private Member Functions

void initialize_next_suite_atoms ()
 
void output_silent_file (core::pose::Pose &pose, Size const count)
 

Private Attributes

RNA_AddOrDeleteMoverOP rna_add_or_delete_mover_
 
RNA_TorsionMoverOP rna_torsion_mover_
 
RNA_O2StarMoverOP rna_o2star_mover_
 
core::scoring::ScoreFunctionOP scorefxn_
 
Size num_cycles_
 
Size output_period_
 
core::Real sample_range_small_
 
core::Real sample_range_large_
 
core::Real kT_
 
bool do_add_delete_
 
std::string silent_file_
 
core::io::silent::SilentFileDataOP silent_file_data_
 
utility::vector1< std::string > next_suite_atoms_
 

Additional Inherited Members

- 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
 
- 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...
 

Constructor & Destructor Documentation

protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::RNA_SWA_MonteCarloMover ( RNA_AddOrDeleteMoverOP  rna_add_or_delete_mover,
RNA_TorsionMoverOP  rna_torsion_mover,
RNA_O2StarMoverOP  rna_o2star_mover,
core::scoring::ScoreFunctionOP  scorefxn 
)
protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::~RNA_SWA_MonteCarloMover ( )

Member Function Documentation

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::apply ( core::pose::Pose pose_to_visualize)
virtual
std::string protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::get_name ( ) const
virtual

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

Implements protocols::moves::Mover.

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::initialize_next_suite_atoms ( )
private

References next_suite_atoms_.

Referenced by RNA_SWA_MonteCarloMover().

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::output_silent_file ( core::pose::Pose pose,
Size const  count 
)
private
void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::set_do_add_delete ( bool const  setting)
inline

References do_add_delete_.

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::set_kT ( core::Real const &  setting)
inline

References kT_.

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::set_num_cycles ( Size const  setting)
inline

References num_cycles_.

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::set_output_period ( Size const  setting)
inline

References output_period_.

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::set_sample_range_large ( core::Real const  setting)
inline

References sample_range_large_.

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::set_sample_range_small ( core::Real const  setting)
inline

References sample_range_small_.

void protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::set_silent_file ( std::string const  setting)
inline

References silent_file_.

Member Data Documentation

bool protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::do_add_delete_
private

Referenced by apply(), and set_do_add_delete().

core::Real protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::kT_
private

Referenced by apply(), and set_kT().

utility::vector1< std::string > protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::next_suite_atoms_
private
Size protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::num_cycles_
private

Referenced by apply(), and set_num_cycles().

Size protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::output_period_
private

Referenced by apply(), and set_output_period().

RNA_AddOrDeleteMoverOP protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::rna_add_or_delete_mover_
private

Referenced by apply().

RNA_O2StarMoverOP protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::rna_o2star_mover_
private

Referenced by apply().

RNA_TorsionMoverOP protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::rna_torsion_mover_
private

Referenced by apply().

core::Real protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::sample_range_large_
private

Referenced by apply(), and set_sample_range_large().

core::Real protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::sample_range_small_
private

Referenced by apply(), and set_sample_range_small().

core::scoring::ScoreFunctionOP protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::scorefxn_
private

Referenced by apply().

std::string protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::silent_file_
private
core::io::silent::SilentFileDataOP protocols::swa::monte_carlo::RNA_SWA_MonteCarloMover::silent_file_data_
private

Referenced by output_silent_file().


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