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protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover Class Reference

#include <UnfoldedStateEnergyCalculatorMover.hh>

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Public Member Functions

 UnfoldedStateEnergyCalculatorMover (UnfoldedStateEnergyCalculatorJobDistributor &job_dist, core::scoring::ScoreFunctionCOP pack_scrfxn, core::scoring::ScoreFunctionCOP score_scrfxn, core::Size frag_length, std::string mut_aa, bool repack_fragments, bool native_sequence)
 ctor More...
 
virtual ~UnfoldedStateEnergyCalculatorMover ()
 dtor More...
 
 UnfoldedStateEnergyCalculatorMover (UnfoldedStateEnergyCalculatorMover const &usecm)
 cctor More...
 
virtual protocols::moves::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...
 
virtual void apply (Pose &pose)
 
virtual std::string get_name () const
 Each derived class must specify its name. The class name. 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...
 
- 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...
 
void set_current_job (protocols::jobdist::BasicJobCOP job)
 
jobdist::BasicJobCOP get_current_job () const
 

Private Attributes

UnfoldedStateEnergyCalculatorJobDistributorjob_dist_
 
core::scoring::ScoreFunctionCOP pack_scrfxn_
 
core::scoring::ScoreFunctionCOP score_scrfxn_
 
core::Size frag_length_
 
std::string mut_aa_
 
bool repack_fragments_
 
bool native_sequence_
 

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::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::UnfoldedStateEnergyCalculatorMover ( UnfoldedStateEnergyCalculatorJobDistributor job_dist,
core::scoring::ScoreFunctionCOP  pack_scrfxn,
core::scoring::ScoreFunctionCOP  score_scrfxn,
core::Size  frag_length,
std::string  mut_aa,
bool  repack_fragments,
bool  native_sequence 
)

ctor

alternate ctor

Referenced by fresh_instance().

protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::~UnfoldedStateEnergyCalculatorMover ( )
virtual

dtor

protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::UnfoldedStateEnergyCalculatorMover ( UnfoldedStateEnergyCalculatorMover const &  usecm)

cctor

Member Function Documentation

void protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::apply ( Pose pose)
virtual
protocols::moves::MoverOP protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::fresh_instance ( ) const
virtual

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).

fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

References UnfoldedStateEnergyCalculatorMover().

std::string protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::get_name ( ) const
virtual

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

Implements protocols::moves::Mover.

bool protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::reinitialize_for_each_job ( ) const
virtual

this function informs the job distributor (august 08 vintage) whether this object needs to be freshly regenerated on each use.

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.

bool protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::reinitialize_for_new_input ( ) const
virtual

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).

Movers default to not regenerating

Reimplemented from protocols::moves::Mover.

Member Data Documentation

core::Size protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::frag_length_
private

Referenced by apply().

UnfoldedStateEnergyCalculatorJobDistributor& protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::job_dist_
private

Referenced by apply().

std::string protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::mut_aa_
private

Referenced by apply().

bool protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::native_sequence_
private

Referenced by apply().

core::scoring::ScoreFunctionCOP protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::pack_scrfxn_
private

Referenced by apply().

bool protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::repack_fragments_
private

Referenced by apply().

core::scoring::ScoreFunctionCOP protocols::unfolded_state_energy_calculator::UnfoldedStateEnergyCalculatorMover::score_scrfxn_
private

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