Rosetta
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#include <CircularPermutation.hh>
Public Types | |
typedef core::Size | Size |
typedef core::pose::Pose | Pose |
typedef core::kinematics::MoveMap | MoveMap |
typedef core::kinematics::MoveMapOP | MoveMapOP |
typedef protocols::moves::MoverOP | MoverOP |
typedef utility::tag::TagCOP | TagCOP |
typedef basic::datacache::DataMap | DataMap |
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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 | |
CircularPermutation () | |
default constructor More... | |
CircularPermutation (CircularPermutation const &rval) | |
copy constructor More... | |
~CircularPermutation () override | |
default destructor More... | |
MoverOP | clone () const override |
clone this object More... | |
MoverOP | fresh_instance () const override |
create this type of object More... | |
core::Size | new_terminal_pos () const |
total number of cycles More... | |
void | new_terminal_pos (core::Size const s) |
new N- & C- terminal position More... | |
core::Size | which_chain (core::Size const s, Pose const &pose) const |
total number of cycles More... | |
void | split_chains (Pose &pose, utility::vector1< core::Size > const &pos) |
void | apply (Pose &pose) override |
apply defined moves to given Pose More... | |
void | parse_my_tag (TagCOP tag, basic::datacache::DataMap &) override |
parse xml file 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_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 |
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 Types | |
typedef protocols::moves::Mover | Super |
Private Member Functions | |
CircularPermutation & | operator= (CircularPermutation const &rval) |
copy assignment More... | |
Private Attributes | |
core::Size | new_terminal_pos_ |
new N- & C- terminal position More... | |
bool | ignore_chain_ |
core::Size | split_ |
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... | |
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private |
typedef utility::tag::TagCOP protocols::fldsgn::CircularPermutation::TagCOP |
protocols::fldsgn::CircularPermutation::CircularPermutation | ( | ) |
default constructor
protocols::fldsgn::CircularPermutation::CircularPermutation | ( | CircularPermutation const & | rval | ) |
copy constructor
@Brief copy constructor
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overridedefault |
default destructor
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overridevirtual |
apply defined moves to given Pose
main apply
Implements protocols::moves::Mover.
References core::pose::add_lower_terminus_type_to_pose_residue(), core::pose::add_upper_terminus_type_to_pose_residue(), core::pose::Pose::chain(), core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), core::pose::Pose::conformation(), core::conformation::ResidueFactory::create_residue(), core::conformation::Conformation::delete_residue_range_slow(), core::pose::Pose::fold_tree(), core::pose::symmetry::get_asymmetric_pose_copy_from_symmetric_pose(), core::pose::get_restype_for_pose(), ignore_chain_, core::conformation::Residue::is_lower_terminus(), core::conformation::Residue::is_protein(), core::conformation::symmetry::is_symmetric(), core::pose::symmetry::is_symmetric(), core::conformation::Residue::is_upper_terminus(), core::pose::symmetry::make_asymmetric_pose(), new_terminal_pos_, core::conformation::Conformation::reset_chain_endings(), core::pose::Pose::residue(), core::conformation::Conformation::safely_append_polymer_residue_after_seqpos(), core::pose::Pose::size(), split_, split_chains(), protocols::fldsgn::TR(), and which_chain().
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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.
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overridevirtual |
Each derived class must specify its name. The class name.
Implements protocols::moves::Mover.
References mover_name().
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Referenced by get_name(), protocols::fldsgn::CircularPermutationCreator::keyname(), and provide_xml_schema().
CircularPermutation::Size protocols::fldsgn::CircularPermutation::new_terminal_pos | ( | ) | const |
total number of cycles
References new_terminal_pos_.
void protocols::fldsgn::CircularPermutation::new_terminal_pos | ( | core::Size const | s | ) |
new N- & C- terminal position
References new_terminal_pos_.
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private |
copy assignment
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overridevirtual |
parse xml file
parse xml
Reimplemented from protocols::moves::Mover.
References ignore_chain_, new_terminal_pos_, and split_.
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References mover_name(), and protocols::moves::xsd_type_definition_w_attributes().
Referenced by protocols::fldsgn::CircularPermutationCreator::provide_xml_schema().
void protocols::fldsgn::CircularPermutation::split_chains | ( | Pose & | pose, |
utility::vector1< core::Size > const & | pos | ||
) |
References core::pose::add_lower_terminus_type_to_pose_residue(), core::pose::add_upper_terminus_type_to_pose_residue(), core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), core::pose::Pose::conformation(), core::sequence::end, core::pose::Pose::fold_tree(), protocols::forge::methods::fold_tree_from_pose(), core::conformation::Conformation::insert_chain_ending(), core::conformation::Residue::is_lower_terminus(), core::conformation::Residue::is_protein(), core::conformation::Residue::is_upper_terminus(), core::kinematics::FoldTree::new_jump(), core::pose::Pose::residue(), core::kinematics::FoldTree::root(), and core::pose::Pose::size().
Referenced by apply().
CircularPermutation::Size protocols::fldsgn::CircularPermutation::which_chain | ( | core::Size const | s, |
Pose const & | pose | ||
) | const |
total number of cycles
References core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), and core::pose::Pose::conformation().
Referenced by apply().
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Referenced by apply(), and parse_my_tag().
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new N- & C- terminal position
Referenced by apply(), new_terminal_pos(), and parse_my_tag().
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Referenced by apply(), and parse_my_tag().