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protocols::recces::sampler::MC_Sampler Class Referenceabstract

#include <MC_Sampler.hh>

Inheritance diagram for protocols::recces::sampler::MC_Sampler:
Inheritance graph
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Public Member Functions

 MC_Sampler ()
 
 ~MC_Sampler () override
 
virtual void update ()=0
 Update the DOFs. More...
 
virtual void set_uniform_modeler (bool const setting)
 Set uniform modeler (instead of Gaussian) More...
 
virtual bool uniform_modeler () const
 Get uniform modeler state. More...
 
virtual void set_update_pose (core::pose::PoseCOP setting)
 set (optional) update_pose More...
 
bool found_move () const
 check if ++ did anything to pose. More...
 
std::string get_name () const override
 Name of the class. More...
 
void set_name (std::string const &setting)
 Set name of the class. More...
 
virtual MC_SamplerOP find (core::id::TorsionID const &torsion_id)=0
 return OP to the subsampler that controls exactly this torsion_id (assume only one). More...
 
void restore (core::pose::Pose &)
 restore pose to state prior to this sampler's apply(). Would enable big speedup in monte carlo by obviating pose copies. More...
 
- Public Member Functions inherited from protocols::toolbox::SamplerPlusPlus
 SamplerPlusPlus ()
 
 ~SamplerPlusPlus () override
 
virtual void init ()=0
 Initialization. More...
 
virtual void reset ()=0
 Reset to the first (or random if random()) rotamer. More...
 
virtual void operator++ ()=0
 Move to next rotamer. More...
 
void apply (core::pose::Pose &) override=0
 Apply the current rotamer to pose. More...
 
virtual SamplerPlusPlusType type () const =0
 Type of class (see enum in SamplerPlusPlusTypes.hh) More...
 
virtual void show (std::ostream &out, core::Size const indent) const
 output summary of class 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 MoverOP clone () const
 Return a clone of the Mover object. 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...
 
virtual MoverOP fresh_instance () const
 Generates a new Mover object freshly created with the default ctor. 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...
 
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 parse_my_tag (TagCOP tag, basic::datacache::DataMap &data)
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...
 
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...
 

Protected Attributes

bool found_move_
 used to prevent simulated tempering from counting move if its filtered out. More...
 
PoseCOP update_pose_
 optional: pose accumulating changes in markov chain monte carlo, can use for updating sampler. More...
 
std::string name_
 

Private Attributes

bool uniform_modeler_
 

Additional Inherited Members

- Public Types inherited from protocols::toolbox::SamplerPlusPlus
typedef utility::vector1
< core::Real
TorsionList
 
- 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::toolbox::SamplerPlusPlus
bool is_init () const
 return OP to the subsampler that controls exactly this torsion_id (assume only one). This is worked out in recces/sampler/MC_Sampler & derived classes – wouldn't be too hard to generalize to stepwise/sampler/ classes, too. More...
 
void set_init (bool const setting)
 Set the initialization state. More...
 
template<class T >
void set_and_reinit (T &params, T const &setting)
 Set value of a parameter, return to pre-init state. 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::recces::sampler::MC_Sampler::MC_Sampler ( )
inline
protocols::recces::sampler::MC_Sampler::~MC_Sampler ( )
inlineoverride

Member Function Documentation

virtual MC_SamplerOP protocols::recces::sampler::MC_Sampler::find ( core::id::TorsionID const &  torsion_id)
pure virtual
bool protocols::recces::sampler::MC_Sampler::found_move ( ) const
inline

check if ++ did anything to pose.

References found_move_.

std::string protocols::recces::sampler::MC_Sampler::get_name ( ) const
inlineoverridevirtual
void protocols::recces::sampler::MC_Sampler::restore ( core::pose::Pose )
inline

restore pose to state prior to this sampler's apply(). Would enable big speedup in monte carlo by obviating pose copies.

void protocols::recces::sampler::MC_Sampler::set_name ( std::string const &  setting)
inline
virtual void protocols::recces::sampler::MC_Sampler::set_uniform_modeler ( bool const  setting)
inlinevirtual
virtual void protocols::recces::sampler::MC_Sampler::set_update_pose ( core::pose::PoseCOP  setting)
inlinevirtual

set (optional) update_pose

Reimplemented in protocols::recces::sampler::MC_Comb.

References update_pose_.

virtual bool protocols::recces::sampler::MC_Sampler::uniform_modeler ( ) const
inlinevirtual
virtual void protocols::recces::sampler::MC_Sampler::update ( )
pure virtual

Member Data Documentation

bool protocols::recces::sampler::MC_Sampler::found_move_
protected
std::string protocols::recces::sampler::MC_Sampler::name_
protected

Referenced by get_name(), and set_name().

bool protocols::recces::sampler::MC_Sampler::uniform_modeler_
private
PoseCOP protocols::recces::sampler::MC_Sampler::update_pose_
protected

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