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protocols::abinitio::ResolutionSwitcher Class Reference

#include <ResolutionSwitcher.hh>

Inheritance diagram for protocols::abinitio::ResolutionSwitcher:
Inheritance graph

Public Member Functions

 ResolutionSwitcher (core::pose::Pose const &, bool fullatom, bool start_centroid, bool apply_to_centroid)
 ~ResolutionSwitcher () override=default
void apply (core::pose::Pose &) override
 Main Method. More...
std::string get_name () const override
 Each derived class must specify its name. The class name. More...
core::pose::Pose start_pose () const
core::pose::Pose const & init_pose () const
core::pose::Poseinit_pose ()
void set_scorefxn (core::scoring::ScoreFunctionOP scorefxn_fa)
void set_map_cst_from_centroid_to_fa (bool const setting)
- 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...

Private Attributes

bool apply_to_centroid_
 true if apply() method is called on centroid pose More...
core::pose::Pose init_pose_
 init_pose ( before the sampling started ) – used to steal sidechains if fullatom More...
bool init_fa_
 init_pose is full-atom More...
bool start_centroid_
 true if we want the start_pose() to be centroid More...
core::scoring::ScoreFunctionOP scorefxn_fa_
 full-atom scorefunction for repacking More...
core::Size repack_buffer_
 repack sidechains at moved positions and x positions to left and right More...
bool map_cst_from_centroid_to_fa_

Additional Inherited Members

- 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...

Constructor & Destructor Documentation

protocols::abinitio::ResolutionSwitcher::ResolutionSwitcher ( core::pose::Pose const &  pose,
bool  fullatom,
bool  start_centroid,
bool  apply_to_centroid 
protocols::abinitio::ResolutionSwitcher::~ResolutionSwitcher ( )

Member Function Documentation

void protocols::abinitio::ResolutionSwitcher::apply ( core::pose::Pose )
std::string protocols::abinitio::ResolutionSwitcher::get_name ( ) const

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

Implements protocols::moves::Mover.

core::pose::Pose const& protocols::abinitio::ResolutionSwitcher::init_pose ( ) const

References init_pose_.

Referenced by apply().

core::pose::Pose& protocols::abinitio::ResolutionSwitcher::init_pose ( )

References init_pose_.

void protocols::abinitio::ResolutionSwitcher::set_map_cst_from_centroid_to_fa ( bool const  setting)
void protocols::abinitio::ResolutionSwitcher::set_scorefxn ( core::scoring::ScoreFunctionOP  scorefxn_fa)

References scorefxn_fa_.

core::pose::Pose protocols::abinitio::ResolutionSwitcher::start_pose ( ) const

Member Data Documentation

bool protocols::abinitio::ResolutionSwitcher::apply_to_centroid_

true if apply() method is called on centroid pose

Referenced by apply().

bool protocols::abinitio::ResolutionSwitcher::init_fa_

init_pose is full-atom

Referenced by apply(), and start_pose().

core::pose::Pose protocols::abinitio::ResolutionSwitcher::init_pose_

init_pose ( before the sampling started ) – used to steal sidechains if fullatom

Referenced by apply(), init_pose(), and start_pose().

bool protocols::abinitio::ResolutionSwitcher::map_cst_from_centroid_to_fa_
core::Size protocols::abinitio::ResolutionSwitcher::repack_buffer_

repack sidechains at moved positions and x positions to left and right

Referenced by apply().

core::scoring::ScoreFunctionOP protocols::abinitio::ResolutionSwitcher::scorefxn_fa_

full-atom scorefunction for repacking

Referenced by apply(), and set_scorefxn().

bool protocols::abinitio::ResolutionSwitcher::start_centroid_

true if we want the start_pose() to be centroid

Referenced by apply(), and start_pose().

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