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protocols::moves::RampingMover Class Reference

#include <RampingMover.hh>

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

 RampingMover ()
 RampingMover. More...
 
 ~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)
 
 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)
 
virtual MoverOP clone () const
 clone has to be overridden only if clone invocation is expected. More...
 
virtual void apply (core::pose::Pose &pose)
 
virtual std::string get_name () const
 Each derived class must specify its name. The class name. More...
 
virtual void parse_my_tag (utility::tag::TagPtr const tags, protocols::moves::DataMap &datamap, protocols::filters::Filters_map const &filters, protocols::moves::Movers_map const &movers, core::pose::Pose const &pose)
 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)
 
- 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)
 
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 update_weights (int round)
 
void set_weights (core::scoring::EnergyMap const &emap)
 
RampingFuncOP instantiate_rampfunc (std::string const &func_name, utility::tag::TagPtr const 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::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::moves::RampingMover::RampingMover ( )

RampingMover.

References ramping_funcs_for_weights_, and score_type_.

Referenced by clone().

protocols::moves::RampingMover::~RampingMover ( )
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 pose)
virtual
MoverOP protocols::moves::RampingMover::clone ( ) const
virtual

clone has to be overridden only if clone invocation is expected.

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.

References RampingMover().

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
virtual

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

Implements protocols::moves::Mover.

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

Referenced by parse_my_tag().

void protocols::moves::RampingMover::parse_my_tag ( utility::tag::TagPtr const  tag,
protocols::moves::DataMap data,
protocols::filters::Filters_map const &  filters,
protocols::moves::Movers_map const &  movers,
core::pose::Pose const &  pose 
)
virtual

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 stop executions. This, however, calls attention to the lack of this method, which could be due to something as silly as a wrong parameters definition.

Reimplemented from protocols::moves::Mover.

References end_weight(), end_weights_, protocols::moves::DataMap::get(), protocols::moves::DataMap::has(), inner_cycles_, instantiate_rampfunc(), core::scoring::ScoreTypeManager::is_score_type(), mc_, mover_, outer_cycles_, protocols::rosetta_scripts::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::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: