allows docking using simulated or parallel tempering More...

#include <DockSetupMover.hh>

Inheritance diagram for protocols::docking::DockSetupMover:

[legend]

Public Member Functions
	DockSetupMover ()
	default constructor fills values with the expected defaults More...

protocols::moves::MoverOP	clone () const override
	clone More...

	DockSetupMover (DockSetupMover const &rhs)
	copy ctor More...

DockSetupMover &	operator= (DockSetupMover const &rhs)
	assignment operator More...

void	set_defaults ()
	Assigns default values to primitive members. More...

void	apply (core::pose::Pose &pose) override
	Main Method. More...

std::string const &	partners () const

void	set_partners (std::string const &setting)
	returns the docking partners chain identifiers More...

void	show (std::ostream &out=std::cout) const override
	--------------------------------------— Getters ---------------------------------------— More...

void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
	Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...

std::string	get_name () const override
	---------------— End initializing helpers ------------------------------— 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...

virtual MoverOP	fresh_instance () const
	Generates a new Mover object freshly created with the default ctor. 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 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)

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
void	copy (DockSetupMover &lhs, DockSetupMover const &rhs)

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...

Private Attributes
std::string	partners_
	— configurables --— More...

protocols::rigid::RigidBodyPerturbNoCenterMoverOP	rb_mover_

DockJumps	movable_jumps_

protocols::docking::RigidBodyInfoOP	rigid_body_info_

Friends
std::ostream &	operator<< (std::ostream &out, const DockSetupMover &dp)

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

Detailed Description

allows docking using simulated or parallel tempering

Constructor & Destructor Documentation

◆ DockSetupMover() [1/2]

protocols::docking::DockSetupMover::DockSetupMover ( )

default constructor fills values with the expected defaults

◆ DockSetupMover() [2/2]

protocols::docking::DockSetupMover::DockSetupMover ( DockSetupMover const & rhs )

copy ctor

References copy().

Member Function Documentation

◆ apply()

void protocols::docking::DockSetupMover::apply ( core::pose::Pose & )

overridevirtual

Main Method.

Implements protocols::moves::Mover.

References core::pose::Pose::data(), core::pose::datacache::CacheableDataType::INTERFACE_INFO, movable_jumps_, partners_, rb_mover_, rigid_body_info_, and protocols::docking::setup_foldtree().

◆ clone()

protocols::moves::MoverOP protocols::docking::DockSetupMover::clone ( ) const

overridevirtual

clone

clone operator, calls the copy constructor

Reimplemented from protocols::moves::Mover.

◆ copy()

void protocols::docking::DockSetupMover::copy	(	DockSetupMover &	lhs,
		DockSetupMover const &	rhs
	)

protected

References movable_jumps_, partners_, rb_mover_, and rigid_body_info_.

Referenced by DockSetupMover(), and operator=().

◆ get_name()

std::string protocols::docking::DockSetupMover::get_name ( ) const

overridevirtual

---------------— End initializing helpers ------------------------------—

Implements protocols::moves::Mover.

References mover_name().

◆ mover_name()

std::string protocols::docking::DockSetupMover::mover_name ( )

static

Referenced by get_name(), protocols::docking::DockSetupMoverCreator::keyname(), and provide_xml_schema().

◆ operator=()

DockSetupMover & protocols::docking::DockSetupMover::operator= ( DockSetupMover const & rhs )

assignment operator

References copy().

◆ parse_my_tag()

void protocols::docking::DockSetupMover::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	data
	)

overridevirtual

Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing.

Some movers need not be parsed, so we shouldn't force people to reimplement this method. However, we should be chatty about the fact that someone is using a RosettaScripts interface to a mover which didn't define parse_my_tag()

Reimplemented from protocols::moves::Mover.

References movable_jumps_, protocols::rosetta_scripts::parse_mover(), partners(), partners_, rb_mover_, rigid_body_info_, set_partners(), and tr().

◆ partners()

std::string const& protocols::docking::DockSetupMover::partners ( ) const

inline

References partners_.

Referenced by parse_my_tag().

◆ provide_xml_schema()

void protocols::docking::DockSetupMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

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

Referenced by protocols::docking::DockSetupMoverCreator::provide_xml_schema().

◆ set_defaults()

void protocols::docking::DockSetupMover::set_defaults ( )

Assigns default values to primitive members.

---------------— initializing helpers ------------------------------—

References partners_.

◆ set_partners()

void protocols::docking::DockSetupMover::set_partners ( std::string const & setting )

inline

returns the docking partners chain identifiers

References partners_.

Referenced by parse_my_tag().

◆ show()

void protocols::docking::DockSetupMover::show ( std::ostream & out = std::cout ) const

overridevirtual

--------------------------------------— Getters ---------------------------------------—

-------------------------— diagnostic output ---------------------------------------—

Show the complete setup of the docking protocol

Reimplemented from protocols::moves::Mover.

References protocols::comparative_modeling::features::A, movable_jumps_, core::conformation::membrane::out, and partners_.

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<<	(	std::ostream &	out,
		const DockSetupMover &	dp
	)

friend

Member Data Documentation

◆ movable_jumps_

DockJumps protocols::docking::DockSetupMover::movable_jumps_

private

Referenced by apply(), copy(), parse_my_tag(), and show().

◆ partners_

std::string protocols::docking::DockSetupMover::partners_

private

— configurables --—

Referenced by apply(), copy(), parse_my_tag(), partners(), set_defaults(), set_partners(), and show().

◆ rb_mover_

protocols::rigid::RigidBodyPerturbNoCenterMoverOP protocols::docking::DockSetupMover::rb_mover_

private

Referenced by apply(), copy(), and parse_my_tag().

◆ rigid_body_info_

protocols::docking::RigidBodyInfoOP protocols::docking::DockSetupMover::rigid_body_info_

private

Referenced by apply(), copy(), and parse_my_tag().

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

src/protocols/docking/DockSetupMover.hh
src/protocols/docking/DockSetupMover.cc

Public Member Functions

Static Public Member Functions

Protected Member Functions

Private Attributes

Friends

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ DockSetupMover() [1/2]

◆ DockSetupMover() [2/2]

Member Function Documentation

◆ apply()

◆ clone()

◆ copy()

◆ get_name()

◆ mover_name()

◆ operator=()

◆ parse_my_tag()

◆ partners()

◆ provide_xml_schema()

◆ set_defaults()

◆ set_partners()

◆ show()

Friends And Related Function Documentation

◆ operator<<

Member Data Documentation

◆ movable_jumps_

◆ partners_

◆ rb_mover_

◆ rigid_body_info_