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Rosetta
2020.11
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Rosetta
2020.11
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#include <StepWiseSamplerOneTorsion.hh>
Public Member Functions | |
| StepWiseSamplerOneTorsion () | |
| StepWiseSamplerOneTorsion (core::id::TorsionID const &tor_id, TorsionList const &torsions) | |
| ~StepWiseSamplerOneTorsion () override | |
| void | apply (core::pose::Pose &pose) override |
| Apply the current rotamer to pose. More... | |
| void | apply (core::pose::Pose &pose, Size const i) override |
| Apply the i-th rotamer to pose. More... | |
| virtual void | set_torsions (TorsionList const &setting) |
| Set the allowed torsions in sampler. More... | |
| virtual void | set_rsd_id (core::Size const setting) |
| Set the residue id being sampled. More... | |
| virtual void | set_torsion_id (core::id::TorsionID const &setting) |
| Set the TorsionID of the sampler. More... | |
| std::string | get_name () const override |
| Name of the class. More... | |
| toolbox::SamplerPlusPlusType | type () const override |
| Type of class (see enum in SamplerPlusPlusTypes.hh) More... | |
 Public Member Functions inherited from protocols::stepwise::sampler::StepWiseSamplerOneValue | |
| StepWiseSamplerOneValue () | |
| StepWiseSamplerOneValue (ValueList const &values) | |
| StepWiseSamplerOneValue (ValueList const &allowed_values, std::string const &name) | |
| ~StepWiseSamplerOneValue () override | |
| void | init () override |
| Initialization. More... | |
| void | apply (core::pose::Pose &) override |
| Apply the current rotamer to pose. More... | |
| void | apply (core::pose::Pose &, Size const ) override |
| Apply the i-th rotamer to pose. More... | |
| core::Size | size () const override |
| Get the total number of rotamers in sampler. More... | |
| virtual core::Real | value () const |
| Get the value of current value. More... | |
| virtual core::Real | value (core::Size const i) const |
| Get the value of i-th value. More... | |
| virtual void | set_values (ValueList const &setting) |
| Set the allowed values in sampler. More... | |
| std::string | get_name () const override |
| Name of the class. More... | |
| toolbox::SamplerPlusPlusType | type () const override |
| Type of class (see enum in SamplerPlusPlusTypes.hh) More... | |
| Public Member Functions inherited from protocols::stepwise::sampler::StepWiseSamplerSized | |
| StepWiseSamplerSized () | |
| ~StepWiseSamplerSized () 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... | |
| bool | not_end () const override |
| Check if reach the end of rotamer list. More... | |
| void | apply (core::pose::Pose &pose) override |
| Apply the current rotamer to pose. More... | |
| std::string | get_name () const override |
| Name of the class. More... | |
| toolbox::SamplerPlusPlusType | type () const override |
| Type of class (see enum in SamplerPlusPlusTypes.hh) More... | |
| Size const & | id () const |
| virtual void | fast_forward () |
| virtual void | set_id (Size const setting) |
| void | show (std::ostream &out, Size const indent=0) const override |
| output summary of class More... | |
| Public Member Functions inherited from protocols::stepwise::sampler::StepWiseSampler | |
| StepWiseSampler () | |
| ~StepWiseSampler () override | |
| virtual bool | random () const |
| Check if is random modeler. More... | |
| virtual void | set_random (bool const setting) |
| Set the random modeler state. 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, Filters_map const &filters, Movers_map const &movers, Pose const &pose) |
| 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 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... | |
Private Attributes | |
| core::id::TorsionID | torsion_id_ |
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 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. 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... | |
| Protected Attributes inherited from protocols::stepwise::sampler::StepWiseSamplerOneValue | |
| ValueList | values_ |
| Protected Attributes inherited from protocols::stepwise::sampler::StepWiseSamplerSized | |
| core::Size | id_ |
| protocols::stepwise::sampler::StepWiseSamplerOneTorsion::StepWiseSamplerOneTorsion | ( | ) |
| protocols::stepwise::sampler::StepWiseSamplerOneTorsion::StepWiseSamplerOneTorsion | ( | core::id::TorsionID const & | tor_id, |
| TorsionList const & | torsions | ||
| ) |
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overridedefault |
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inlineoverridevirtual |
Apply the current rotamer to pose.
Implements protocols::toolbox::SamplerPlusPlus.
References apply(), and protocols::stepwise::sampler::StepWiseSamplerSized::id_.
Referenced by apply().
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overridevirtual |
Apply the i-th rotamer to pose.
Implements protocols::stepwise::sampler::StepWiseSamplerSized.
References core::pose::Pose::set_torsion(), torsion_id_, and protocols::stepwise::sampler::StepWiseSamplerOneValue::value().
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overridevirtual |
Name of the class.
Implements protocols::toolbox::SamplerPlusPlus.
References core::id::TorsionID::rsd(), core::id::to_string(), core::id::TorsionID::torsion(), torsion_id_, and core::id::TorsionID::type().
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inlinevirtual |
Set the residue id being sampled.
Reimplemented in protocols::stepwise::sampler::rna::RNA_ChiStepWiseSampler.
References core::id::TorsionID::torsion(), torsion_id_, and core::id::TorsionID::type().
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inlinevirtual |
Set the TorsionID of the sampler.
References torsion_id_.
Referenced by protocols::stepwise::sampler::rna::RNA_ChiStepWiseSampler::init().
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inlinevirtual |
Set the allowed torsions in sampler.
References protocols::stepwise::sampler::StepWiseSamplerOneValue::set_values().
Referenced by protocols::stepwise::sampler::rna::RNA_ChiStepWiseSampler::init().
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inlineoverridevirtual |
Type of class (see enum in SamplerPlusPlusTypes.hh)
Implements protocols::toolbox::SamplerPlusPlus.
References protocols::toolbox::ONE_TORSION.
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private |
Referenced by apply(), get_name(), set_rsd_id(), and set_torsion_id().
1.8.7