|
| | EvaluatedTrialMover (moves::MoverOP mover_in, moves::MonteCarloOP mc_in, evaluation::PoseEvaluatorOP evaluator_in, std::string const &tag) |
| | c'stor More...
|
| |
| | ~EvaluatedTrialMover () override |
| |
| void | apply (core::pose::Pose &pose) override |
| | apply does a single trial (which is a mover apply and a boltzmann) More...
|
| |
| std::string | get_name () const override |
| | Each derived class must specify its name. The class name. More...
|
| |
| void | dump_file (std::string fn) |
| | write all collected output to file (appends if file exist ) More...
|
| |
| | TrialMover () |
| |
| | TrialMover (MoverOP mover_in, MonteCarloOP mc_in) |
| | Constructs a TrialMover trialmover = TrialMover( mover_in , mc_in ) More...
|
| |
| | TrialMover (TrialMover const &object_to_copy) |
| | Copy constructor. More...
|
| |
| | ~TrialMover () override |
| |
| virtual void | initialize_weights (Real const start_weight, Real const end_weight, core::scoring::ScoreType score_type, int const ramp_cycles) |
| |
| protocols::moves::MoverOP | clone () const override |
| | Return a clone of the Mover object. More...
|
| |
| protocols::moves::MoverOP | fresh_instance () const override |
| | Generates a new Mover object freshly created with the default ctor. More...
|
| |
| Real | acceptance_rate () const |
| |
| int | num_accepts () const |
| | Returns the number of moves accepted by this TrialMover. More...
|
| |
| void | set_mc (MonteCarloOP mc_in) |
| | Sets the MonteCarlo object to <mc_in> More...
|
| |
| MoverOP | mover () const |
| | Returns the underlying Mover. More...
|
| |
| MonteCarlo const & | mc () const |
| | Returns the underlying MonteCarlo object. More...
|
| |
| StatsType | keep_stats_type () const |
| |
| void | keep_stats_type (StatsType setting) |
| |
| void | set_input_pose (PoseCOP pose) override |
| | setter for poses contained for rms More...
|
| |
| void | set_native_pose (PoseCOP pose) override |
| | setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More...
|
| |
| void | parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) override |
| | Requires that a MonteCarlo object has already been loaded into the basic::datacache::DataMap in a prior MONTECARLOS objects section. More...
|
| |
| | 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...
|
| |
| 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...
|
| |
| 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 Strings & | info () |
| | 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...
|
| |
Public Member Functions inherited from protocols::moves::TrialMover