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Rosetta Protocols
2014.35
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#include <StepWiseSamplerComb.hh>
Public Member Functions | |
StepWiseSamplerComb () | |
virtual | ~StepWiseSamplerComb () |
virtual void | init () |
Initialization. More... | |
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... | |
virtual void | apply (core::pose::Pose &pose) |
Apply the current rotamer to pose. More... | |
virtual void | set_random (bool const setting) |
Set the random modeler state. More... | |
virtual void | add_external_loop_rotamer (StepWiseSamplerBaseOP const &rotamer) |
Add one more rotamer sampler to this sampler. More... | |
virtual void | clear_rotamer () |
Clear all rotamer samplers stored in this 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... | |
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... | |
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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 | |
bool | is_empty_ |
utility::vector1 < StepWiseSamplerBaseOP > | rotamer_list_ |
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::StepWiseSamplerComb::StepWiseSamplerComb | ( | ) |
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virtual |
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inlinevirtual |
Add one more rotamer sampler to this sampler.
References rotamer_list_, and protocols::stepwise::sampler::StepWiseSamplerBase::set_init().
Referenced by protocols::stepwise::modeler::StepWiseConnectionSampler::initialize_rna_bond_sampler(), protocols::stepwise::sampler::rigid_body::RigidBodyStepWiseSamplerWithResidueAlternatives::RigidBodyStepWiseSamplerWithResidueAlternatives(), and protocols::stepwise::sampler::rigid_body::RigidBodyStepWiseSamplerWithResidueList::RigidBodyStepWiseSamplerWithResidueList().
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Apply the current rotamer to pose.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
Reimplemented in protocols::stepwise::sampler::rigid_body::RigidBodyStepWiseSamplerWithResidueList.
References protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), rotamer_list_, and runtime_assert.
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inlinevirtual |
Clear all rotamer samplers stored in this sampler.
References rotamer_list_, and protocols::stepwise::sampler::StepWiseSamplerBase::set_init().
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inlinevirtual |
Name of the class.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
Reimplemented in protocols::stepwise::sampler::rigid_body::RigidBodyStepWiseSamplerWithResidueList, and protocols::stepwise::sampler::rigid_body::RigidBodyStepWiseSamplerWithResidueAlternatives.
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virtual |
Initialization.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
References is_empty_, not_end(), protocols::stepwise::sampler::StepWiseSamplerBase::random(), reset(), rotamer_list_, runtime_assert, protocols::stepwise::sampler::StepWiseSamplerBase::set_init(), set_random(), and protocols::TR.
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Check if reach the end of rotamer list.
Reimplemented from protocols::stepwise::sampler::StepWiseSamplerBase.
References is_empty_, protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), protocols::stepwise::sampler::StepWiseSamplerBase::random(), rotamer_list_, and runtime_assert.
Referenced by init(), and operator++().
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virtual |
Move to next rotamer.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
References not_end(), protocols::stepwise::sampler::StepWiseSamplerBase::random(), reset(), rotamer_list_, and runtime_assert.
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Reset to the first (or random if random()) rotamer.
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
References protocols::stepwise::sampler::StepWiseSamplerBase::is_init(), rotamer_list_, and runtime_assert.
Referenced by init(), and operator++().
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virtual |
Set the random modeler state.
Reimplemented from protocols::stepwise::sampler::StepWiseSamplerBase.
References protocols::stepwise::sampler::StepWiseSamplerBase::random(), rotamer_list_, runtime_assert, and protocols::stepwise::sampler::StepWiseSamplerBase::set_random().
Referenced by init().
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virtual |
output summary of class
Reimplemented from protocols::stepwise::sampler::StepWiseSamplerBase.
References rotamer_list_, and protocols::stepwise::sampler::StepWiseSamplerBase::show().
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inlinevirtual |
Type of class (see enum in StepWiseSamplerTypes.hh)
Implements protocols::stepwise::sampler::StepWiseSamplerBase.
Reimplemented in protocols::stepwise::sampler::rigid_body::RigidBodyStepWiseSamplerWithResidueList, and protocols::stepwise::sampler::rigid_body::RigidBodyStepWiseSamplerWithResidueAlternatives.
References protocols::stepwise::sampler::COMB.
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private |
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private |
Referenced by add_external_loop_rotamer(), apply(), clear_rotamer(), init(), not_end(), operator++(), reset(), set_random(), and show().