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protocols::moves::RampingMover Class Reference

#include <RampingMover.hh>

Inheritance diagram for protocols::moves::RampingMover:
Inheritance graph
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Public Member Functions

 RampingMover ()
 RampingMover. More...
 
 ~RampingMover () override
 
 RampingMover (MoverOP mover_in, core::scoring::ScoreFunctionOP scorefxn_in, core::scoring::ScoreType score_type_in, int outer_cycles_in, int inner_cycles_in, MonteCarloOP mc_in, bool geometric_in=false)
 
 RampingMover (MoverOP mover_in, core::scoring::ScoreFunctionOP scorefxn_in, core::scoring::EnergyMap start_weights, core::scoring::EnergyMap end_weights, int outer_cycles_in, int inner_cycles_in, MonteCarloOP mc_in)
 
MoverOP clone () const override
 Return a clone of the Mover object. More...
 
void apply (core::pose::Pose &pose) override
 Main Method. More...
 
void parse_my_tag (utility::tag::TagCOP tags, basic::datacache::DataMap &datamap) override
 Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...
 
void sfxn (core::scoring::ScoreFunctionOP)
 
void start_weight (core::Real start_weight_in)
 
void end_weight (core::Real end_weight_in)
 
void set_func_for_weight (core::scoring::ScoreType scoretype, RampingFuncOP func)
 
std::string get_name () const override
 Each derived class must specify its name. The class name. 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 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
 
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 bool mover_provides_citation_info () const
 Does this mover provide information about how to cite it? More...
 
virtual utility::vector1
< basic::citation_manager::CitationCollectionCOP > 
provide_citation_info () const
 Provide the citation. More...
 
virtual bool mover_is_unpublished () const
 Does this mover indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More...
 
virtual utility::vector1
< basic::citation_manager::UnpublishedModuleInfoCOP > 
provide_authorship_info_for_unpublished () const
 Provide a list of authors and their e-mail addresses, as strings. More...
 

Static Public Member Functions

static std::string mover_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 
- 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...
 

Private Member Functions

void update_weights (int round)
 
void set_weights (core::scoring::EnergyMap const &emap)
 
RampingFuncOP instantiate_rampfunc (std::string const &func_name, utility::tag::TagCOP tag_ptr) const
 

Private Attributes

MoverOP mover_
 
core::scoring::ScoreFunctionOP scorefxn_
 
bool ramp_one_weight_
 
core::scoring::ScoreType score_type_
 Are we ramping one weight or several weights? More...
 
core::scoring::EnergyMap start_weights_
 
core::scoring::EnergyMap end_weights_
 
core::scoring::EnergyMap intermediate_weights_
 
utility::vector1< RampingFuncCOPramping_funcs_for_weights_
 
int outer_cycles_
 
int inner_cycles_
 
MonteCarloOP mc_
 

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
 
- 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::moves::RampingMover::RampingMover ( )
protocols::moves::RampingMover::~RampingMover ( )
overridedefault
protocols::moves::RampingMover::RampingMover ( MoverOP  mover_in,
core::scoring::ScoreFunctionOP  scorefxn_in,
core::scoring::ScoreType  score_type_in,
int  outer_cycles_in,
int  inner_cycles_in,
MonteCarloOP  mc_in,
bool  geometric_in = false 
)

Takes a scorefunciton OP because the score function it modifies is shared between many movers.

References end_weights_, ramping_funcs_for_weights_, score_type_, and start_weights_.

protocols::moves::RampingMover::RampingMover ( MoverOP  mover_in,
core::scoring::ScoreFunctionOP  scorefxn_in,
core::scoring::EnergyMap  start_weights,
core::scoring::EnergyMap  end_weights,
int  outer_cycles_in,
int  inner_cycles_in,
MonteCarloOP  mc_in 
)

Member Function Documentation

void protocols::moves::RampingMover::apply ( core::pose::Pose )
overridevirtual
MoverOP protocols::moves::RampingMover::clone ( ) const
overridevirtual

Return a clone of the Mover object.

clone is meant to return an OP'ed deep copy of this object. 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.

Reimplemented from protocols::moves::Mover.

void protocols::moves::RampingMover::end_weight ( core::Real  end_weight_in)

References end_weights_, ramp_one_weight_, and score_type_.

Referenced by parse_my_tag().

std::string protocols::moves::RampingMover::get_name ( ) const
overridevirtual

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

Implements protocols::moves::Mover.

References mover_name().

RampingFuncOP protocols::moves::RampingMover::instantiate_rampfunc ( std::string const &  func_name,
utility::tag::TagCOP  tag_ptr 
) const
private

Referenced by parse_my_tag().

std::string protocols::moves::RampingMover::mover_name ( )
static
void protocols::moves::RampingMover::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
overridevirtual

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't force people to reimplement this method. However, we should be chatty about the fact that someone is using a RosettaScripts interface to a mover which didn't define parse_my_tag()

Reimplemented from protocols::moves::Mover.

References end_weight(), end_weights_, inner_cycles_, instantiate_rampfunc(), core::scoring::ScoreTypeManager::is_score_type(), mc_, mover_, mover_name(), outer_cycles_, protocols::rosetta_scripts::parse_mover(), core::scoring::parse_score_function(), ramp_one_weight_, ramping_funcs_for_weights_, score_type_, core::scoring::ScoreTypeManager::score_type_from_name(), scorefxn_, sfxn(), start_weight(), start_weights_, and protocols::moves::TR().

void protocols::moves::RampingMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::moves::RampingMover::set_func_for_weight ( core::scoring::ScoreType  scoretype,
RampingFuncOP  func 
)
void protocols::moves::RampingMover::set_weights ( core::scoring::EnergyMap const &  emap)
private

References core::scoring::n_score_types, and scorefxn_.

Referenced by apply(), and update_weights().

void protocols::moves::RampingMover::sfxn ( core::scoring::ScoreFunctionOP  scorefxn)

References scorefxn_, and start_weights_.

Referenced by parse_my_tag().

void protocols::moves::RampingMover::start_weight ( core::Real  start_weight_in)

References ramp_one_weight_, score_type_, and start_weights_.

Referenced by parse_my_tag().

void protocols::moves::RampingMover::update_weights ( int  round)
private

Member Data Documentation

core::scoring::EnergyMap protocols::moves::RampingMover::end_weights_
private
int protocols::moves::RampingMover::inner_cycles_
private

Referenced by apply(), and parse_my_tag().

core::scoring::EnergyMap protocols::moves::RampingMover::intermediate_weights_
private

Referenced by update_weights().

MonteCarloOP protocols::moves::RampingMover::mc_
private

Referenced by apply(), and parse_my_tag().

MoverOP protocols::moves::RampingMover::mover_
private

Referenced by apply(), and parse_my_tag().

int protocols::moves::RampingMover::outer_cycles_
private

Referenced by apply(), parse_my_tag(), and update_weights().

bool protocols::moves::RampingMover::ramp_one_weight_
private
utility::vector1< RampingFuncCOP > protocols::moves::RampingMover::ramping_funcs_for_weights_
private
core::scoring::ScoreType protocols::moves::RampingMover::score_type_
private

Are we ramping one weight or several weights?

Referenced by end_weight(), parse_my_tag(), RampingMover(), and start_weight().

core::scoring::ScoreFunctionOP protocols::moves::RampingMover::scorefxn_
private

Referenced by apply(), parse_my_tag(), set_weights(), and sfxn().

core::scoring::EnergyMap protocols::moves::RampingMover::start_weights_
private

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