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Rosetta Protocols
2014.35
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#include <RNA_MC_Sugar.hh>
Public Member Functions | |
RNA_MC_Sugar (core::Size const rsd_id, core::Real const flip_rate=0.1, PuckerState const init_pucker=NORTH) | |
void | init () |
Initialization. More... | |
void | reset () |
Reset to current angle. More... | |
void | operator++ () |
Generate new active DOFs. More... | |
void | update () |
Update the stored DOFs. More... | |
void | apply (core::pose::Pose &pose) |
Apply DOFs to pose. More... | |
void | set_flip_rate (core::Real const setting) |
Set the flip rate of pucker. More... | |
void | set_skip_same_pucker (bool const setting) |
Set if the sampler will skip pucker applying when input pose has. More... | |
void | set_idealize_coord (bool const setting) |
Set if using RNA_IdealCoord to sample puckers. More... | |
std::string | get_name () const |
Name of the class. More... | |
virtual StepWiseSamplerType | type () const |
Type of class (see enum in StepWiseSamplerTypes.hh) More... | |
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MC_StepWiseSampler () | |
virtual | ~MC_StepWiseSampler () |
virtual void | set_uniform_modeler (bool const setting) |
Set uniform modeler (instead of Gaussian) More... | |
virtual bool | uniform_modeler () const |
Get uniform modeler state. More... | |
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StepWiseSamplerBase () | |
virtual | ~StepWiseSamplerBase () |
virtual bool | not_end () const |
Check if there are more rotamers available. More... | |
virtual bool | random () const |
Check if is random modeler. More... | |
virtual void | set_random (bool const setting) |
Set the random modeler state. More... | |
virtual void | show (std::ostream &out, Size const indent=0) const |
output summary of class More... | |
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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) | |
Mover & | operator= (Mover const &other) |
assignment operator More... | |
virtual core::Real | last_proposal_density_ratio () |
std::string const & | type () const |
void | set_type (std::string const &setting) |
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) |
virtual MoverOP | clone () const |
Return a clone of the Mover object. More... | |
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... | |
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 Strings & | info () |
non-const accessor More... | |
virtual Strings const & | info () const |
const accessor 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... | |
void | set_current_job (protocols::jobdist::BasicJobCOP job) |
jobdist::BasicJobCOP | get_current_job () const |
virtual void | show (std::ostream &output=std::cout) const |
Outputs details about the Mover, including current settings. More... | |
Private Attributes | |
PuckerState | stored_pucker_state_ |
PuckerState | active_pucker_state_ |
core::Real | flip_rate_ |
RNA_SugarStepWiseSamplerOP | sugar_rotamer_ |
Additional Inherited Members | |
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typedef utility::vector1 < core::Real > | TorsionList |
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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 |
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static std::string | name () |
static void | register_options () |
Overload this static method if you access options within the mover. More... | |
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bool | is_init () const |
Check if the sampler has been initialized. 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... | |
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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::stepwise::sampler::rna::RNA_MC_Sugar::RNA_MC_Sugar | ( | core::Size const | rsd_id, |
core::Real const | flip_rate = 0.1 , |
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PuckerState const | init_pucker = NORTH |
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virtual |
Apply DOFs to pose.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
References active_pucker_state_, protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), runtime_assert, and sugar_rotamer_.
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inlinevirtual |
Name of the class.
Reimplemented from protocols::stepwise::sampler::MC_StepWiseSampler.
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virtual |
Initialization.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
References flip_rate_, reset(), protocols::stepwise::sampler::StepWiseSamplerBase::set_init(), sugar_rotamer_, and protocols::stepwise::sampler::MC_StepWiseSampler::uniform_modeler().
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virtual |
Generate new active DOFs.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
References active_pucker_state_, flip_rate_, protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), NORTH, protocols::RG, runtime_assert, SOUTH, stored_pucker_state_, and numeric::random::RandomGenerator::uniform().
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inlinevirtual |
Reset to current angle.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
Referenced by init().
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inline |
Set the flip rate of pucker.
void protocols::stepwise::sampler::rna::RNA_MC_Sugar::set_idealize_coord | ( | bool const | setting | ) |
Set if using RNA_IdealCoord to sample puckers.
References protocols::stepwise::sampler::StepWiseSamplerBase::set_init(), and sugar_rotamer_.
void protocols::stepwise::sampler::rna::RNA_MC_Sugar::set_skip_same_pucker | ( | bool const | setting | ) |
Set if the sampler will skip pucker applying when input pose has.
References protocols::stepwise::sampler::StepWiseSamplerBase::set_init(), and sugar_rotamer_.
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inlinevirtual |
Type of class (see enum in StepWiseSamplerTypes.hh)
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
References protocols::stepwise::sampler::RNA_MC_SUGAR.
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inlinevirtual |
Update the stored DOFs.
Implements protocols::stepwise::sampler::MC_StepWiseSampler.
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private |
Referenced by apply(), and operator++().
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private |
Referenced by init(), and operator++().
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private |
Referenced by operator++().
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private |
Referenced by apply(), init(), set_idealize_coord(), and set_skip_same_pucker().