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Rosetta
2021.16
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#include <MC_Comb.hh>

Public Member Functions | |
| MC_Comb () | |
| ~MC_Comb () override | |
| void | init () override |
| Initialization. More... | |
| void | reset () override |
| Reset to the first (or random if random()) rotamer. More... | |
| void | operator++ () override |
| Move to next rotamer. More... | |
| void | update () override |
| Update the DOFs. More... | |
| void | apply (core::pose::Pose &pose) override |
| Apply the current rotamer to pose. More... | |
| void | set_uniform_modeler (bool const setting) override |
| Get uniform modeler state. More... | |
| virtual void | add_rotamer (MC_SamplerOP const &rotamer) |
| Add one more rotamer sampler to this sampler. More... | |
| virtual void | clear_rotamer () |
| Clear all rotamer samplers stored in this sampler. More... | |
| toolbox::SamplerPlusPlusType | type () const override |
| Type of class (see enum in toolbox::SamplerPlusPlusTypes.hh) More... | |
| void | set_update_pose (core::pose::PoseCOP setting) override |
| set (optional) update_pose More... | |
| void | show (std::ostream &out, core::Size const indent=0) const override |
| output summary of class More... | |
| MC_SamplerOP | find (core::id::TorsionID const &torsion_id) override |
| return OP to the subsampler that controls exactly this torsion_id (assume only one). More... | |
| core::Size | num_rotamers () const |
| MC_SamplerOP | operator[] (core::Size const id) |
Public Member Functions inherited from protocols::recces::sampler::MC_Sampler | |
| MC_Sampler () | |
| ~MC_Sampler () override | |
| virtual bool | uniform_modeler () const |
| Get uniform modeler state. More... | |
| bool | found_move () const |
| check if ++ did anything to pose. More... | |
| std::string | get_name () const override |
| Name of the class. More... | |
| void | set_name (std::string const &setting) |
| Set name of the class. More... | |
| void | restore (core::pose::Pose &) |
| restore pose to state prior to this sampler's apply(). Would enable big speedup in monte carlo by obviating pose copies. More... | |
Public Member Functions inherited from protocols::toolbox::SamplerPlusPlus | |
| SamplerPlusPlus () | |
| ~SamplerPlusPlus () override | |
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 |
| virtual void | parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) |
| Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More... | |
| 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 Attributes | |
| utility::vector1< MC_SamplerOP > | rotamer_list_ |
Protected Attributes inherited from protocols::recces::sampler::MC_Sampler | |
| bool | found_move_ |
| used to prevent simulated tempering from counting move if its filtered out. More... | |
| PoseCOP | update_pose_ |
| optional: pose accumulating changes in markov chain monte carlo, can use for updating sampler. More... | |
| std::string | name_ |
Additional Inherited Members | |
Public Types inherited from protocols::toolbox::SamplerPlusPlus | |
| typedef utility::vector1 < core::Real > | TorsionList |
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::moves::Mover | |
| static std::string | name () |
| static void | register_options () |
| Overload this static method if you access options within the mover. More... | |
Protected Member Functions inherited from protocols::toolbox::SamplerPlusPlus | |
| bool | is_init () const |
| return OP to the subsampler that controls exactly this torsion_id (assume only one). This is worked out in recces/sampler/MC_Sampler & derived classes – wouldn't be too hard to generalize to stepwise/sampler/ classes, too. More... | |
| void | set_init (bool const setting) |
| Set the initialization state. More... | |
| template<class T > | |
| void | set_and_reinit (T ¶ms, T const &setting) |
| Set value of a parameter, return to pre-init state. 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... | |
| protocols::recces::sampler::MC_Comb::MC_Comb | ( | ) |
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inlineoverride |
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inlinevirtual |
Add one more rotamer sampler to this sampler.
References rotamer_list_, and protocols::toolbox::SamplerPlusPlus::set_init().
Referenced by protocols::recces::sampler::rna::MC_RNA_MultiSuite::add_rotamer(), and protocols::recces::sampler::rna::MC_RNA_Suite::init().
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overridevirtual |
Apply the current rotamer to pose.
Implements protocols::toolbox::SamplerPlusPlus.
References protocols::recces::sampler::MC_Sampler::found_move_, protocols::toolbox::SamplerPlusPlus::is_init(), and rotamer_list_.
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inlinevirtual |
Clear all rotamer samplers stored in this sampler.
Reimplemented in protocols::recces::sampler::rna::MC_RNA_MultiSuite, and protocols::recces::sampler::rna::MC_RNA_Suite.
References rotamer_list_, and protocols::toolbox::SamplerPlusPlus::set_init().
Referenced by protocols::recces::sampler::rna::MC_RNA_Suite::clear_rotamer(), and protocols::recces::sampler::rna::MC_RNA_MultiSuite::clear_rotamer().
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overridevirtual |
return OP to the subsampler that controls exactly this torsion_id (assume only one).
Implements protocols::recces::sampler::MC_Sampler.
References rotamer_list_.
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overridevirtual |
Initialization.
Implements protocols::toolbox::SamplerPlusPlus.
Reimplemented in protocols::recces::sampler::rna::MC_RNA_Suite.
References reset(), rotamer_list_, protocols::toolbox::SamplerPlusPlus::set_init(), set_update_pose(), and protocols::recces::sampler::MC_Sampler::update_pose_.
Referenced by protocols::recces::sampler::MC_Any::init(), and protocols::recces::sampler::rna::MC_RNA_Suite::init().
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inline |
References rotamer_list_.
Referenced by protocols::recces::sampler::MC_Any::operator++().
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overridevirtual |
Move to next rotamer.
Implements protocols::toolbox::SamplerPlusPlus.
Reimplemented in protocols::recces::sampler::MC_Loop, and protocols::recces::sampler::rna::MC_RNA_MultiSuite.
References rotamer_list_.
Referenced by protocols::recces::sampler::rna::MC_RNA_MultiSuite::operator++().
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inline |
References rotamer_list_.
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overridevirtual |
Reset to the first (or random if random()) rotamer.
Implements protocols::toolbox::SamplerPlusPlus.
References protocols::toolbox::SamplerPlusPlus::is_init(), and rotamer_list_.
Referenced by init(), and protocols::recces::sampler::rna::MC_RNA_Suite::init().
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overridevirtual |
Get uniform modeler state.
Reimplemented from protocols::recces::sampler::MC_Sampler.
References rotamer_list_, and protocols::recces::sampler::MC_Sampler::set_uniform_modeler().
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overridevirtual |
set (optional) update_pose
Reimplemented from protocols::recces::sampler::MC_Sampler.
References rotamer_list_, and protocols::recces::sampler::MC_Sampler::update_pose_.
Referenced by init().
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overridevirtual |
output summary of class
Reimplemented from protocols::toolbox::SamplerPlusPlus.
Reimplemented in protocols::recces::sampler::MC_Loop.
References rotamer_list_.
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inlineoverridevirtual |
Type of class (see enum in toolbox::SamplerPlusPlusTypes.hh)
Implements protocols::toolbox::SamplerPlusPlus.
Reimplemented in protocols::recces::sampler::rna::MC_RNA_Suite, protocols::recces::sampler::rna::MC_RNA_MultiSuite, and protocols::recces::sampler::MC_Loop.
References protocols::toolbox::MC_COMB.
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overridevirtual |
Update the DOFs.
Implements protocols::recces::sampler::MC_Sampler.
References protocols::toolbox::SamplerPlusPlus::is_init(), and rotamer_list_.
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protected |
Referenced by add_rotamer(), protocols::recces::sampler::MC_Any::apply(), apply(), clear_rotamer(), find(), init(), num_rotamers(), protocols::recces::sampler::MC_Loop::operator++(), operator++(), protocols::recces::sampler::MC_Any::operator++(), operator[](), reset(), protocols::recces::sampler::MC_Any::rotamer(), set_uniform_modeler(), set_update_pose(), protocols::recces::sampler::MC_Loop::show(), protocols::recces::sampler::MC_Any::show(), show(), and update().
1.8.7