Rosetta Protocols  2014.35
Public Member Functions | Private Member Functions | Private Attributes | List of all members
protocols::stepwise::sampler::MC_OneTorsion Class Reference

#include <MC_OneTorsion.hh>

Public Member Functions

 MC_OneTorsion (core::id::TorsionID const &tor_id, core::Real const start_torsion)
void init ()
 Initialization. More...
void reset ()
 Reset to current angle. More...
void operator++ ()
 Update the active angle based on stored (do not update stored_angle_) More...
void update ()
 Update the stored angle to match active angle. More...
void apply (core::pose::Pose &pose)
 Apply the active torsion to pose. More...
core::Real stored_angle () const
 Get the stored angle. More...
core::Real active_angle () const
 Get the active angle. More...
void set_angle (core::Real const setting)
 Set the stored angle. More...
void set_angle_range (core::Real const min, core::Real const max)
 Set the angle range. More...
void set_gaussian_stdev (core::Real const setting)
 Set the standard deviation of Gaussian sampler. More...
void set_torsion_id (core::id::TorsionID const &setting)
 Set the TorsionID of the sampler. More...
std::string get_name () const
 Name of the class. More...
virtual StepWiseSamplerType type () const
 Type of class (see enum in StepWiseSamplerTypes.hh) More...
- Public Member Functions inherited from protocols::stepwise::sampler::MC_StepWiseSampler
 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...
- Public Member Functions inherited from protocols::stepwise::sampler::StepWiseSamplerBase
 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...
- 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)
Moveroperator= (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 Stringsinfo ()
 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 Member Functions

bool check_angle_in_range (core::Real angle) const
void regularize_angle (core::Real &angle)

Private Attributes

core::Real stored_angle_
core::Real active_angle_
core::Real angle_min_
core::Real angle_max_
core::Real stdev_
core::id::TorsionID torsion_id_

Additional Inherited Members

- Public Types inherited from protocols::stepwise::sampler::StepWiseSamplerBase
typedef utility::vector1
< core::Real
- Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagCOP TagCOP
typedef core::pose::Pose Pose
typedef core::pose::PoseCOP PoseCOP
typedef std::list< std::stringStrings
- 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::stepwise::sampler::StepWiseSamplerBase
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 &params, 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...

Constructor & Destructor Documentation

protocols::stepwise::sampler::MC_OneTorsion::MC_OneTorsion ( core::id::TorsionID const &  tor_id,
core::Real const  start_torsion 

Member Function Documentation

core::Real protocols::stepwise::sampler::MC_OneTorsion::active_angle ( ) const

Get the active angle.

References active_angle_.

void protocols::stepwise::sampler::MC_OneTorsion::apply ( core::pose::Pose pose)
bool protocols::stepwise::sampler::MC_OneTorsion::check_angle_in_range ( core::Real  angle) const

References angle_max_, and angle_min_.

Referenced by operator++().

std::string protocols::stepwise::sampler::MC_OneTorsion::get_name ( ) const

Name of the class.

Reimplemented from protocols::stepwise::sampler::MC_StepWiseSampler.

void protocols::stepwise::sampler::MC_OneTorsion::init ( void  )
void protocols::stepwise::sampler::MC_OneTorsion::operator++ ( )
void protocols::stepwise::sampler::MC_OneTorsion::regularize_angle ( core::Real angle)

Referenced by operator++().

void protocols::stepwise::sampler::MC_OneTorsion::reset ( void  )

Reset to current angle.

Implements protocols::stepwise::sampler::StepWiseSamplerBase.

References active_angle_, and stored_angle_.

Referenced by init().

void protocols::stepwise::sampler::MC_OneTorsion::set_angle ( core::Real const  setting)

Set the stored angle.

References stored_angle_.

void protocols::stepwise::sampler::MC_OneTorsion::set_angle_range ( core::Real const  min,
core::Real const  max 

Set the angle range.

References angle_max_, and angle_min_.

void protocols::stepwise::sampler::MC_OneTorsion::set_gaussian_stdev ( core::Real const  setting)

Set the standard deviation of Gaussian sampler.

References protocols::stepwise::sampler::MC_StepWiseSampler::set_uniform_modeler(), and stdev_.

void protocols::stepwise::sampler::MC_OneTorsion::set_torsion_id ( core::id::TorsionID const &  setting)

Set the TorsionID of the sampler.

References torsion_id_.

core::Real protocols::stepwise::sampler::MC_OneTorsion::stored_angle ( ) const

Get the stored angle.

References stored_angle_.

virtual StepWiseSamplerType protocols::stepwise::sampler::MC_OneTorsion::type ( ) const

Type of class (see enum in StepWiseSamplerTypes.hh)

Implements protocols::stepwise::sampler::StepWiseSamplerBase.

References protocols::stepwise::sampler::MC_ONE_TORSION.

void protocols::stepwise::sampler::MC_OneTorsion::update ( )

Update the stored angle to match active angle.

Implements protocols::stepwise::sampler::MC_StepWiseSampler.

References active_angle_, and stored_angle_.

Member Data Documentation

core::Real protocols::stepwise::sampler::MC_OneTorsion::active_angle_
core::Real protocols::stepwise::sampler::MC_OneTorsion::angle_max_
core::Real protocols::stepwise::sampler::MC_OneTorsion::angle_min_
core::Real protocols::stepwise::sampler::MC_OneTorsion::stdev_

Referenced by operator++(), and set_gaussian_stdev().

core::Real protocols::stepwise::sampler::MC_OneTorsion::stored_angle_
core::id::TorsionID protocols::stepwise::sampler::MC_OneTorsion::torsion_id_

Referenced by apply(), and set_torsion_id().

The documentation for this class was generated from the following files: