Rosetta
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#include <ShortBackrubMover.hh>
Public Types | |
typedef protocols::moves::MoverOP | MoverOP |
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typedef utility::tag::TagCOP | TagCOP |
typedef core::pose::Pose | Pose |
typedef core::pose::PoseCOP | PoseCOP |
typedef std::list< std::string > | Strings |
Public Member Functions | |
ShortBackrubMover () | |
ShortBackrubMover (core::pose::PoseOP pose) | |
constructor that sets input pose More... | |
ShortBackrubMover (ShortBackrubMover const &rval) | |
copy constructor More... | |
~ShortBackrubMover () override | |
destructor More... | |
protocols::moves::MoverOP | clone () const override |
clone this object More... | |
protocols::moves::MoverOP | fresh_instance () const override |
create this type of object More... | |
void | apply (core::pose::Pose &pose) override |
Main Method. More... | |
void | set_resnum (core::Size resnum) |
void | set_rotation_std_dev (core::Real rotation_std_dev) |
void | set_randomize_resnum (bool randomize_resnum) |
void | set_uniform_backrub (bool uniform_backrub) |
void | set_input_pose (core::pose::PoseCOP pose) override |
setter for poses contained for rms More... | |
core::Size | get_resnum () const |
core::Real | get_rotation_std_dev () const |
bool | get_randomize_resnum () const |
bool | get_uniform_backrub () const |
protocols::backrub::BackrubMoverOP | get_backrubmover () const |
void | parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) override |
parse xml More... | |
std::string | get_name () const override |
Each derived class must specify its name. The class name. More... | |
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Mover () | |
virtual MoverOP | create () |
MoverCOP | get_self_ptr () const |
MoverOP | get_self_ptr () |
MoverCAP | get_self_weak_ptr () const |
MoverAP | get_self_weak_ptr () |
Mover (std::string const &type_name) | |
sets the type for a mover; name_ has been removed (2010/05/14) More... | |
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... | |
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... | |
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... | |
void | set_type (std::string const &setting) |
Set the 'type' string. More... | |
std::string | get_type () const |
void | type (const std::string &type_in) |
Set the 'type' string. More... | |
std::string const & | type () const |
Get the set 'type' string. 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 |
void | set_current_job (protocols::jobdist::BasicJobCOP job) |
jobdist::BasicJobCOP | get_current_job () const |
virtual void | set_current_tag (std::string const &new_tag) |
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... | |
virtual void | show (std::ostream &output=std::cout) const |
Outputs details about the Mover, including current settings. More... | |
virtual core::Real | last_proposal_density_ratio () |
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 void | provide_citation_info (basic::citation_manager::CitationCollectionList &) const |
Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More... | |
Static Public Member Functions | |
static std::string | mover_name () |
static void | provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd) |
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static std::string | name () |
static void | register_options () |
Overload this static method if you access options within the mover. More... | |
Private Attributes | |
protocols::backrub::BackrubMoverOP | backrubmover_ |
mover used for Backrub moves More... | |
core::Size | resnum_ |
residue number specifying the center residue for the next Backrub move More... | |
core::Real | rotation_std_dev_ |
standard deviation of rotation angle (degrees) used for Backrub moves More... | |
bool | randomize_resnum_ |
if true, choose a random residue for the next move More... | |
bool | uniform_backrub_ |
if true, sample rotation angle from a uniform distribution from -20 to 20 More... | |
Additional Inherited Members | |
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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::simple_moves::ShortBackrubMover::ShortBackrubMover | ( | ) |
References backrubmover_, randomize_resnum_, resnum_, rotation_std_dev_, protocols::moves::Mover::type(), and uniform_backrub_.
protocols::simple_moves::ShortBackrubMover::ShortBackrubMover | ( | core::pose::PoseOP | pose | ) |
constructor that sets input pose
References backrubmover_, randomize_resnum_, resnum_, rotation_std_dev_, protocols::moves::Mover::type(), and uniform_backrub_.
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default |
copy constructor
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overridedefault |
destructor
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overridevirtual |
Main Method.
Implements protocols::moves::Mover.
References backrubmover_, core::sequence::end, core::pose::Pose::fold_tree(), core::conformation::Residue::name1(), randomize_resnum_, core::pose::Pose::residue(), resnum_, core::scoring::rg, rotation_std_dev_, core::pose::Pose::size(), protocols::loops::start, uniform_backrub_, and core::conformation::Residue::xyz().
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overridevirtual |
clone this object
Reimplemented from protocols::moves::Mover.
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overridevirtual |
create this type of object
Reimplemented from protocols::moves::Mover.
protocols::backrub::BackrubMoverOP protocols::simple_moves::ShortBackrubMover::get_backrubmover | ( | ) | const |
References backrubmover_.
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overridevirtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
References mover_name().
bool protocols::simple_moves::ShortBackrubMover::get_randomize_resnum | ( | ) | const |
References randomize_resnum_.
core::Size protocols::simple_moves::ShortBackrubMover::get_resnum | ( | ) | const |
References resnum_.
core::Real protocols::simple_moves::ShortBackrubMover::get_rotation_std_dev | ( | ) | const |
References rotation_std_dev_.
bool protocols::simple_moves::ShortBackrubMover::get_uniform_backrub | ( | ) | const |
References uniform_backrub_.
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static |
Referenced by get_name(), protocols::simple_moves::ShortBackrubMoverCreator::keyname(), and provide_xml_schema().
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overridevirtual |
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static |
References mover_name(), and protocols::moves::xsd_type_definition_w_attributes().
Referenced by protocols::simple_moves::ShortBackrubMoverCreator::provide_xml_schema().
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overridevirtual |
setter for poses contained for rms
Reimplemented from protocols::moves::Mover.
References backrubmover_.
void protocols::simple_moves::ShortBackrubMover::set_randomize_resnum | ( | bool | randomize_resnum | ) |
References randomize_resnum_.
void protocols::simple_moves::ShortBackrubMover::set_resnum | ( | core::Size | resnum | ) |
References resnum_.
void protocols::simple_moves::ShortBackrubMover::set_rotation_std_dev | ( | core::Real | rotation_std_dev | ) |
References rotation_std_dev_.
void protocols::simple_moves::ShortBackrubMover::set_uniform_backrub | ( | bool | uniform_backrub | ) |
References uniform_backrub_.
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private |
mover used for Backrub moves
Referenced by apply(), get_backrubmover(), parse_my_tag(), set_input_pose(), and ShortBackrubMover().
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private |
if true, choose a random residue for the next move
Referenced by apply(), get_randomize_resnum(), set_randomize_resnum(), and ShortBackrubMover().
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private |
residue number specifying the center residue for the next Backrub move
Referenced by apply(), get_resnum(), set_resnum(), and ShortBackrubMover().
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private |
standard deviation of rotation angle (degrees) used for Backrub moves
Referenced by apply(), get_rotation_std_dev(), set_rotation_std_dev(), and ShortBackrubMover().
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private |
if true, sample rotation angle from a uniform distribution from -20 to 20
Referenced by apply(), get_uniform_backrub(), set_uniform_backrub(), and ShortBackrubMover().