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Rosetta
2021.16
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Rosetta
2021.16
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Apply an additional Monte Carlo acceptance check. More...
#include <AcceptanceCheck.hh>
Public Member Functions | |
| AcceptanceCheck (protocols::moves::MonteCarloOP monte_carlo, string name="loop_move") | |
| Constructor with optional name argument. More... | |
| string | get_name () const override |
| Return the name of this mover. More... | |
 Public Member Functions inherited from protocols::loop_modeling::LoopMover | |
| LoopMover () | |
| Default constructor. More... | |
| void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override |
| Configure from a RosettaScripts tag. More... | |
| void | apply (Pose &pose) override |
| Sample the pose in the regions specified by get_loops(). More... | |
| virtual void | get_children_names (utility::vector1< std::string > &names, std::string indent="") const |
| Add the names of all the algorithms invoked by this loop mover to the given list. Indentation is used to represent hierarchy. More... | |
| bool | was_successful () const |
| Return true if the previous move was successful. More... | |
| void | was_successful (bool value) |
| Set the success status of a loop mover. More... | |
| LoopsOP | get_loops () |
| Return the loops to be sampled on the next call to apply(). More... | |
| LoopsCOP | get_loops () const |
| Return the loops to be sampled on the next call to apply(). More... | |
| Loop const & | get_loop (core::Size index) const |
| Return the specified loop. More... | |
| void | set_loops (LoopsOP loops) |
| Set the loops to be sampled on the next call to apply(). More... | |
| void | set_loops (Loops const &loops) |
| Set the loops to be sampled on the next call to apply(). More... | |
| void | set_loop (Loop const &loop) |
| Set the loop to be sampled on the next call to apply(). More... | |
| template<typename ToolTypeOP > | |
| ToolTypeOP | get_tool (std::string key) const |
| Request a tool from this mover or any of its parents. More... | |
| template<typename ToolTypeOP > | |
| ToolTypeOP | get_tool (std::string key, ToolTypeOP fallback) const |
| Request a tool from this mover or any of its parents. More... | |
| template<typename ToolTypeOP > | |
| ToolTypeOP | set_tool (std::string key, ToolTypeOP value) |
| Provide a tool for this mover or any of its children to use. More... | |
| virtual FoldTreeRequest | request_fold_tree () const |
| Return an enum representing the kind of fold tree that is compatible with this mover. More... | |
| void | trust_fold_tree () |
| Promise that the calling code will setup a fold tree compatible with request_fold_tree(). If this method is not called, this mover will setup a fold tree on its own every time apply() is called. 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 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 |
| 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... | |
Protected Member Functions | |
| bool | do_apply (Pose &pose) override |
| Apply the Metropolis criterion to the given pose and return true if the pose was accepted. More... | |
| Protected Member Functions inherited from protocols::loop_modeling::LoopMover | |
| virtual bool | do_apply (Pose &pose, Loop const &loop) |
| Perform the loop sampling move. This method can be overwritten in child classes. More... | |
| template<typename ChildSubclassOP > | |
| ChildSubclassOP | add_child (ChildSubclassOP child) |
| Add a child to this mover. More... | |
| void | remove_child (LoopMoverOP child) |
| Remove a child from this mover. More... | |
| void | clear_children () |
| Remove all children from this mover. More... | |
| LoopMoverOPs | get_children () const |
| Return all of this mover's children. More... | |
| core::Size | count_children () const |
| Return the number of children this mover has. 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... | |
Private Attributes | |
| protocols::moves::MonteCarloOP | monte_carlo_ |
| string | name_ |
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::loop_modeling::LoopMover | |
| static void | setup_fold_tree (Pose &pose, LoopsCOP loops, FoldTreeRequest request) |
| Setup the given pose with a fold tree that is compatible with the given loops and requests. More... | |
| static void | define_composition_schema (utility::tag::XMLSchemaDefinition &xsd, utility::tag::XMLSchemaComplexTypeGenerator &ct_gen, utility::tag::XMLSchemaSimpleSubelementList &subelements) |
| 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... | |
Apply an additional Monte Carlo acceptance check.
This class is meant to be used when you have a complex loop sampling protocol (e.g. when you are stringing together a large number of loop movers) and you want to add intermediate acceptance checks. Note that you don't usually have to use this class, because LoopProtocol always makes an acceptance check after all the loop movers have been applied.
| protocols::loop_modeling::utilities::AcceptanceCheck::AcceptanceCheck | ( | protocols::moves::MonteCarloOP | monte_carlo, |
| string | name = "loop_move" |
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| ) |
Constructor with optional name argument.
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overrideprotectedvirtual |
Apply the Metropolis criterion to the given pose and return true if the pose was accepted.
Reimplemented from protocols::loop_modeling::LoopMover.
References monte_carlo_, and name_.
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inlineoverridevirtual |
Return the name of this mover.
Reimplemented from protocols::loop_modeling::LoopMover.
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private |
Referenced by do_apply().
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private |
Referenced by do_apply().
1.8.7