Takes a pose and flips the downstream partner around the axis between the COMs of the partners, projected into the membrane plane. CAUTION: THIS MOVER ONLY WORKS FOR A FIXED MEMBRANE WHERE THE MEMBRANE VIRTUAL RESIDUE IS AT THE ROOT OF THE FOLDTREE!!! More...

#include <FlipMover.hh>

Inheritance diagram for protocols::membrane::FlipMover:

[legend]

Public Member Functions
	FlipMover ()
	Constructors ///. More...

	FlipMover (core::Size jump_num)
	Custom Constructor. More...

	FlipMover (core::Size jump_num, core::Vector axis)
	Custom constructor. More...

	FlipMover (core::Size jump_num, core::Real angle)
	Custom constructor. More...

	FlipMover (core::Size jump_num, core::Vector axis, core::Real angle)
	Custom constructor. More...

	FlipMover (FlipMover const &src)
	Copy Constructor. More...

FlipMover &	operator= (FlipMover const &src)
	Assignment Operator. More...

	~FlipMover () override
	Destructor. More...

protocols::moves::MoverOP	clone () const override
	Rosetta Scripts Methods ///. More...

protocols::moves::MoverOP	fresh_instance () const override
	Create a Fresh Instance of this Mover. More...

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
	Parse Rosetta Scripts Options for this Mover. More...

void	apply (core::pose::Pose &pose) override
	Mover Methods ///. More...

void	set_random_membrane_flip_angle ()
	Set Random flip angle between 135 and 225 degrees to keep protein oriented in the membrane correctly. More...

void	set_range (core::Real max_angle_dev)
	Set angle range. More...

std::string	get_name () const override
	Each derived class must specify its name. The class name. More...

core::Size	get_jump_num () const
	Get Methods ///. More...

core::Vector	get_axis () const
	get rotation axis More...

core::Real	get_angle () const
	get rotation angle More...

bool	get_random_angle () const
	get random angle status More...

core::Real	get_max_angle_dev () const
	get maximum angle deviation from 180 degrees More...

Public Member Functions inherited from protocols::moves::Mover
	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 void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
	Provide xml schema for RosettaScripts compatibility. More...

static std::string	mover_name ()

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...

Private Member Functions
void	register_options ()
	Setup Methods ///. More...

void	set_defaults ()
	Set default values. More...

Private Attributes
core::Size	jump_num_
	Jump number. More...

core::Vector	axis_
	Rotation axis. More...

core::Real	angle_
	Rotation angle in degrees. More...

bool	random_angle_
	Random flip angle between 135 and 225 degrees in the membrane. More...

core::Real	max_angle_dev_
	Maximum angle deviation from 180 degrees. More...

Additional Inherited Members
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::string >	Strings

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...

Detailed Description

Takes a pose and flips the downstream partner around the axis between the COMs of the partners, projected into the membrane plane. CAUTION: THIS MOVER ONLY WORKS FOR A FIXED MEMBRANE WHERE THE MEMBRANE VIRTUAL RESIDUE IS AT THE ROOT OF THE FOLDTREE!!!

Constructor & Destructor Documentation

◆ FlipMover() [1/6]

protocols::membrane::FlipMover::FlipMover ( )

Constructors ///.

Default Constructor

Defaults: jump = membrane jump, angle = 180 deg, axis = x-axis

References register_options(), and set_defaults().

Referenced by operator=().

◆ FlipMover() [2/6]

protocols::membrane::FlipMover::FlipMover ( core::Size jump_num )

Custom Constructor.

User can specify jump number

References jump_num_, register_options(), and set_defaults().

◆ FlipMover() [3/6]

protocols::membrane::FlipMover::FlipMover	(	core::Size	jump_num,
		core::Vector	axis
	)

Custom constructor.

User can specify jump number and rotation axis

References axis_, jump_num_, register_options(), and set_defaults().

◆ FlipMover() [4/6]

protocols::membrane::FlipMover::FlipMover	(	core::Size	jump_num,
		core::Real	angle
	)

Custom constructor.

User can specify jump number and angle

References angle_, jump_num_, register_options(), and set_defaults().

◆ FlipMover() [5/6]

protocols::membrane::FlipMover::FlipMover	(	core::Size	jump_num,
		core::Vector	axis,
		core::Real	angle
	)

Custom constructor.

User can specify jump number and rotation axis

References angle_, axis_, jump_num_, register_options(), and set_defaults().

◆ FlipMover() [6/6]

protocols::membrane::FlipMover::FlipMover ( FlipMover const & src )

default

Copy Constructor.

Create a deep copy of this mover

◆ ~FlipMover()

protocols::membrane::FlipMover::~FlipMover ( )

overridedefault

Destructor.

Member Function Documentation

◆ apply()

void protocols::membrane::FlipMover::apply ( core::pose::Pose & pose )

overridevirtual

Mover Methods ///.

Create a new copy of this mover.

Get the name of this Mover (FlipMover)

Flip the downstream partner in the membrane

Return the Name of this mover (as seen by Rscripts)

Mover name for Rosetta Scripts Mover Methods ///

Get the name of this Mover (FlipMover)

Flip the downstream partner in the membrane

Implements protocols::moves::Mover.

References angle_, axis_, protocols::membrane::compute_structure_based_embedding(), core::kinematics::FoldTree::downstream_jump_residue(), core::pose::Pose::fold_tree(), protocols::membrane::is_membrane_fixed(), jump_num_, max_angle_dev_, core::pose::Pose::membrane_info(), random_angle_, core::kinematics::FoldTree::reorder(), core::kinematics::FoldTree::show(), protocols::membrane::split_topology_by_jump(), protocols::TR(), and core::kinematics::FoldTree::upstream_jump_residue().

◆ clone()

protocols::moves::MoverOP protocols::membrane::FlipMover::clone ( ) const

overridevirtual

Rosetta Scripts Methods ///.

Create a Clone of this mover

Reimplemented from protocols::moves::Mover.

◆ fresh_instance()

protocols::moves::MoverOP protocols::membrane::FlipMover::fresh_instance ( ) const

overridevirtual

Create a Fresh Instance of this Mover.

Reimplemented from protocols::moves::Mover.

◆ get_angle()

core::Real protocols::membrane::FlipMover::get_angle ( ) const

get rotation angle

References angle_.

◆ get_axis()

core::Vector protocols::membrane::FlipMover::get_axis ( ) const

get rotation axis

References axis_.

◆ get_jump_num()

core::Size protocols::membrane::FlipMover::get_jump_num ( ) const

Get Methods ///.

get jump num

References jump_num_.

◆ get_max_angle_dev()

core::Real protocols::membrane::FlipMover::get_max_angle_dev ( ) const

get maximum angle deviation from 180 degrees

References max_angle_dev_.

◆ get_name()

std::string protocols::membrane::FlipMover::get_name ( ) const

overridevirtual

Each derived class must specify its name. The class name.

Implements protocols::moves::Mover.

References mover_name().

◆ get_random_angle()

bool protocols::membrane::FlipMover::get_random_angle ( ) const

get random angle status

References random_angle_.

◆ mover_name()

std::string protocols::membrane::FlipMover::mover_name ( )

static

Referenced by get_name(), protocols::membrane::FlipMoverCreator::keyname(), and provide_xml_schema().

◆ operator=()

FlipMover & protocols::membrane::FlipMover::operator= ( FlipMover const & src )

Assignment Operator.

References FlipMover().

◆ parse_my_tag()

void protocols::membrane::FlipMover::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &
	)

overridevirtual

Parse Rosetta Scripts Options for this Mover.

Reimplemented from protocols::moves::Mover.

References angle_, axis_, jump_num_, max_angle_dev_, and random_angle_.

◆ provide_xml_schema()

void protocols::membrane::FlipMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

Provide xml schema for RosettaScripts compatibility.

References mover_name(), and protocols::moves::xsd_type_definition_w_attributes().

Referenced by protocols::membrane::FlipMoverCreator::provide_xml_schema().

◆ register_options()

void protocols::membrane::FlipMover::register_options ( )

private

Setup Methods ///.

Register Options from Command Line

Referenced by FlipMover().

◆ set_defaults()

void protocols::membrane::FlipMover::set_defaults ( )

private

Set default values.

References angle_, axis_, jump_num_, max_angle_dev_, and random_angle_.

Referenced by FlipMover().

◆ set_random_membrane_flip_angle()

void protocols::membrane::FlipMover::set_random_membrane_flip_angle ( )

Set Random flip angle between 135 and 225 degrees to keep protein oriented in the membrane correctly.

Set Random flip angle between 160 and 200 degrees to keep protein oriented in the membrane correctly.

References random_angle_.

◆ set_range()

void protocols::membrane::FlipMover::set_range ( core::Real max_angle_dev )

Set angle range.

Maximum angle deviation from 180 degrees

References max_angle_dev_.

Member Data Documentation

◆ angle_

core::Real protocols::membrane::FlipMover::angle_

private

Rotation angle in degrees.

Referenced by apply(), FlipMover(), get_angle(), parse_my_tag(), and set_defaults().

◆ axis_

core::Vector protocols::membrane::FlipMover::axis_

private

Rotation axis.

Referenced by apply(), FlipMover(), get_axis(), parse_my_tag(), and set_defaults().

◆ jump_num_

core::Size protocols::membrane::FlipMover::jump_num_

private

Jump number.

Referenced by apply(), FlipMover(), get_jump_num(), parse_my_tag(), and set_defaults().

◆ max_angle_dev_

core::Real protocols::membrane::FlipMover::max_angle_dev_

private

Maximum angle deviation from 180 degrees.

Referenced by apply(), get_max_angle_dev(), parse_my_tag(), set_defaults(), and set_range().

◆ random_angle_

bool protocols::membrane::FlipMover::random_angle_

private

Random flip angle between 135 and 225 degrees in the membrane.

Referenced by apply(), get_random_angle(), parse_my_tag(), set_defaults(), and set_random_membrane_flip_angle().

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

src/protocols/membrane/FlipMover.hh
src/protocols/membrane/FlipMover.cc

Public Member Functions

Static Public Member Functions

Private Member Functions

Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ FlipMover() [1/6]

◆ FlipMover() [2/6]

◆ FlipMover() [3/6]

◆ FlipMover() [4/6]

◆ FlipMover() [5/6]

◆ FlipMover() [6/6]

◆ ~FlipMover()

Member Function Documentation

◆ apply()

◆ clone()

◆ fresh_instance()

◆ get_angle()

◆ get_axis()

◆ get_jump_num()

◆ get_max_angle_dev()

◆ get_name()

◆ get_random_angle()

◆ mover_name()

◆ operator=()

◆ parse_my_tag()

◆ provide_xml_schema()

◆ register_options()

◆ set_defaults()

◆ set_random_membrane_flip_angle()

◆ set_range()

Member Data Documentation

◆ angle_

◆ axis_

◆ jump_num_

◆ max_angle_dev_

◆ random_angle_