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Rosetta Protocols
2014.16.56682
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#include <RotamerAny.hh>
Public Member Functions | |
| RotamerAny () | |
| virtual | ~RotamerAny () |
| 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 sampling state. More... | |
| virtual void | add_rotamer (RotamerBaseOP const &rotamer) |
| Add one more rotamer sampler to this sampler. More... | |
| virtual void | add_rotamer (RotamerBaseOP const &rotamer, core::Real const weight) |
| Add one more rotamer sampler to this sampler. More... | |
| virtual void | set_weights (utility::vector1< core::Real > const &weights) |
| Set the weights of each rotamer 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 RotamerType | type () const |
| Type of class (see enum in RotamerTypes.hh) More... | |
Public Member Functions inherited from protocols::rotamer_sampler::RotamerBase | |
| RotamerBase () | |
| virtual | ~RotamerBase () |
| virtual bool | random () const |
| Check if is random sampling. More... | |
Public Member Functions inherited from protocols::moves::Mover | |
| 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 |
| 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 | |
| core::Size | curr_rotamer_ |
| bool | is_weighted_ |
| bool | is_empty_ |
| bool | has_empty_ |
| utility::vector1< RotamerBaseOP > | rotamer_list_ |
| utility::vector1< core::Real > | weights_ |
| utility::vector1< core::Real > | cdf_ |
Additional Inherited Members | |
Public Types inherited from protocols::rotamer_sampler::RotamerBase | |
| 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::rotamer_sampler::RotamerBase | |
| 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... | |
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::rotamer_sampler::RotamerAny::RotamerAny | ( | ) |
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virtual |
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inlinevirtual |
Add one more rotamer sampler to this sampler.
References rotamer_list_, and protocols::rotamer_sampler::RotamerBase::set_init().
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inlinevirtual |
Add one more rotamer sampler to this sampler.
References rotamer_list_, protocols::rotamer_sampler::RotamerBase::set_init(), and weights_.
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virtual |
Apply the current rotamer to pose.
Implements protocols::rotamer_sampler::RotamerBase.
References curr_rotamer_, protocols::rotamer_sampler::RotamerBase::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::rotamer_sampler::RotamerBase::set_init().
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inlinevirtual |
Name of the class.
Implements protocols::rotamer_sampler::RotamerBase.
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virtual |
Initialization.
Implements protocols::rotamer_sampler::RotamerBase.
References cdf_, has_empty_, is_empty_, is_weighted_, not_end(), protocols::rotamer_sampler::RotamerBase::random(), reset(), rotamer_list_, runtime_assert, protocols::rotamer_sampler::RotamerBase::set_init(), set_random(), sum(), protocols::TR, and weights_.
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virtual |
Check if reach the end of rotamer list.
Reimplemented from protocols::rotamer_sampler::RotamerBase.
References curr_rotamer_, is_empty_, protocols::rotamer_sampler::RotamerBase::is_init(), protocols::rotamer_sampler::RotamerBase::random(), rotamer_list_, and runtime_assert.
Referenced by init(), and operator++().
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virtual |
Move to next rotamer.
Implements protocols::rotamer_sampler::RotamerBase.
References cdf_, curr_rotamer_, has_empty_, is_weighted_, not_end(), protocols::rotamer_sampler::RotamerBase::random(), numeric::random::RandomGenerator::random_range(), protocols::RG, rotamer_list_, runtime_assert, and numeric::random::RandomGenerator::uniform().
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virtual |
Reset to the first (or random if random()) rotamer.
Implements protocols::rotamer_sampler::RotamerBase.
References curr_rotamer_, protocols::rotamer_sampler::RotamerBase::is_init(), rotamer_list_, and runtime_assert.
Referenced by init().
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virtual |
Set the random sampling state.
Reimplemented from protocols::rotamer_sampler::RotamerBase.
References protocols::rotamer_sampler::RotamerBase::random(), rotamer_list_, runtime_assert, and protocols::rotamer_sampler::RotamerBase::set_random().
Referenced by init().
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inlinevirtual |
Set the weights of each rotamer sampler.
References protocols::rotamer_sampler::RotamerBase::set_init(), and weights_.
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inlinevirtual |
Type of class (see enum in RotamerTypes.hh)
Implements protocols::rotamer_sampler::RotamerBase.
References protocols::rotamer_sampler::ANY.
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private |
Referenced by init(), and operator++().
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private |
Referenced by apply(), not_end(), operator++(), and reset().
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private |
Referenced by init(), and operator++().
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private |
Referenced by init(), and operator++().
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private |
Referenced by add_rotamer(), apply(), clear_rotamer(), init(), not_end(), operator++(), reset(), and set_random().
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private |
Referenced by add_rotamer(), init(), and set_weights().
1.8.7