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Rosetta Protocols
2014.35
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#include <StepWiseSamplerOneValue.hh>
Public Member Functions | |
StepWiseSamplerOneValue () | |
StepWiseSamplerOneValue (ValueList const &values) | |
StepWiseSamplerOneValue (ValueList const &allowed_values, std::string const &name) | |
virtual | ~StepWiseSamplerOneValue () |
virtual void | init () |
Initialization. More... | |
virtual void | apply (core::pose::Pose &) |
Apply the current rotamer to pose. More... | |
virtual void | apply (core::pose::Pose &, Size const ) |
Apply the i-th rotamer to pose. More... | |
virtual core::Size | size () const |
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... | |
virtual 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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StepWiseSamplerSized () | |
virtual | ~StepWiseSamplerSized () |
virtual void | reset () |
Reset to the first (or random if random()) rotamer. More... | |
virtual void | operator++ () |
Move to next rotamer. More... | |
virtual bool | not_end () const |
Check if reach the end of rotamer list. More... | |
void | apply (core::pose::Pose &pose) |
Apply the current rotamer to pose. More... | |
Size const & | id () const |
virtual void | fast_forward () |
virtual void | set_id (Size const setting) |
virtual void | show (std::ostream &out, Size const indent=0) const |
output summary of class More... | |
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StepWiseSamplerBase () | |
virtual | ~StepWiseSamplerBase () |
virtual bool | random () const |
Check if is random modeler. More... | |
virtual void | set_random (bool const setting) |
Set the random modeler state. 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... | |
Protected Attributes | |
ValueList | values_ |
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core::Size | id_ |
Private Attributes | |
std::string const | tag_ |
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::StepWiseSamplerOneValue::StepWiseSamplerOneValue | ( | ) |
protocols::stepwise::sampler::StepWiseSamplerOneValue::StepWiseSamplerOneValue | ( | ValueList const & | values | ) |
protocols::stepwise::sampler::StepWiseSamplerOneValue::StepWiseSamplerOneValue | ( | ValueList const & | allowed_values, |
std::string const & | name | ||
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virtual |
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inlinevirtual |
Apply the current rotamer to pose.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
Reimplemented in protocols::stepwise::sampler::StepWiseSamplerOneTorsion.
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inlinevirtual |
Apply the i-th rotamer to pose.
Implements protocols::stepwise::sampler::StepWiseSamplerSized.
Reimplemented in protocols::stepwise::sampler::StepWiseSamplerOneTorsion.
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virtual |
Name of the class.
Reimplemented from protocols::stepwise::sampler::StepWiseSamplerSized.
Reimplemented in protocols::stepwise::sampler::rna::RNA_ChiStepWiseSampler, and protocols::stepwise::sampler::StepWiseSamplerOneTorsion.
References protocols::moves::Mover::name(), and tag_.
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inlinevirtual |
Initialization.
Reimplemented from protocols::stepwise::sampler::StepWiseSamplerSized.
Reimplemented in protocols::stepwise::sampler::rna::RNA_ChiStepWiseSampler.
References protocols::stepwise::sampler::StepWiseSamplerSized::reset(), and protocols::stepwise::sampler::StepWiseSamplerBase::set_init().
Referenced by protocols::stepwise::sampler::rna::RNA_ChiStepWiseSampler::init().
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inlinevirtual |
Set the allowed values in sampler.
References protocols::stepwise::sampler::StepWiseSamplerBase::set_and_reinit(), and values_.
Referenced by protocols::stepwise::sampler::StepWiseSamplerOneTorsion::set_torsions().
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inlinevirtual |
Get the total number of rotamers in sampler.
Implements protocols::stepwise::sampler::StepWiseSamplerSized.
References protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), runtime_assert, and values_.
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inlinevirtual |
Type of class (see enum in StepWiseSamplerTypes.hh)
Reimplemented from protocols::stepwise::sampler::StepWiseSamplerSized.
Reimplemented in protocols::stepwise::sampler::rna::RNA_ChiStepWiseSampler, and protocols::stepwise::sampler::StepWiseSamplerOneTorsion.
References protocols::stepwise::sampler::ONE_VALUE.
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inlinevirtual |
Get the value of current value.
References protocols::stepwise::sampler::StepWiseSamplerSized::id_, protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), runtime_assert, and values_.
Referenced by protocols::stepwise::sampler::StepWiseSamplerOneTorsion::apply(), and protocols::stepwise::sampler::StepWiseSamplerOneValueComb::get_value_list().
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inlinevirtual |
Get the value of i-th value.
References protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), runtime_assert, and values_.
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private |
Referenced by get_name().
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protected |
Referenced by set_values(), size(), and value().