#include <UniformRigidBodyMover.hh>

Inheritance diagram for protocols::rigid::UniformRigidBodyMover:

Public Member Functions
	UniformRigidBodyMover ()

	UniformRigidBodyMover (JumpNumber target_jump, core::Real rotation_mag_=3.0, core::Real translation_mag_=8.0)

	~UniformRigidBodyMover () override=default

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

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

moves::MoverOP	fresh_instance () const override
	Generates a new Mover object freshly created with the default ctor. More...

moves::MoverOP	clone () const override
	Return a clone of the Mover object. More...

void	jump_number (JumpNumber)

JumpNumber	jump_number () const

void	set_preserve_detailed_balance (bool) override
	Set to true if detailed balance should be preserved (i.e. no branch angle optimization). This will be set to true for all movers used by MetropolisHastingsMover. More...

bool	preserve_detailed_balance () const override
	Return true if detailed balance is being preserved (i.e. no branch angle optimization). More...

utility::vector1 < core::id::TorsionID_Range >	torsion_id_ranges (core::pose::Pose &pose) override
	Return a list specifying which torsions may be perturbed by apply(), and the in what range each perturbation may be. More...

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

Public Member Functions inherited from protocols::canonical_sampling::ThermodynamicMover
	ThermodynamicMover ()
	Default constructor. More...

	~ThermodynamicMover () override
	Default destructor. More...

virtual void	initialize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover, core::Size cycle)
	Callback executed before any Monte Carlo trials are attempted. More...

virtual void	observe_after_metropolis (protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
	Callback executed after the Metropolis criterion is evaluated. More...

core::Real	last_proposal_density_ratio () override
	Return the proposal density ratio for last apply method. More...

virtual void	finalize_simulation (core::pose::Pose &pose, protocols::canonical_sampling::MetropolisHastingsMover const &metropolis_hastings_mover)
	Callback executed after all Monte Carlo trials are completed. More...

virtual bool	is_multi_trial ()
	Return true if the move performs multiple trials on each apply. More...

virtual core::Real	last_inner_score_delta_over_temperature ()
	If this is a multi-trial move, return the change in internal score/temperature caused by the last call to apply(). More...

virtual protocols::canonical_sampling::MetropolisHastingsMoverAP	metropolis_hastings_mover ()
	If this is a multi-trial move, return the MetropolisHastingsMover being used internally. More...

virtual void	set_metropolis_hastings_mover (protocols::canonical_sampling::MetropolisHastingsMoverAP metropolis_hastings_mover)
	If this is a multi-trial move, set the MetropolisHastingsMover to be used internally. More...

virtual utility::vector1 < core::id::DOF_ID_Range >	dof_id_ranges (core::pose::Pose &pose)
	Return a list specifying which degrees of freedom may be perturbed by apply(), and the in what range each perturbation may be. 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 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 utility::tag::XMLSchemaComplexTypeGeneratorOP	complex_type_gen ()

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...

Private Types
typedef int	JumpNumber

Private Attributes
JumpNumber	target_jump_

core::Real	rotation_mag_

core::Real	translation_mag_

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...

Member Typedef Documentation

typedef int protocols::rigid::UniformRigidBodyMover::JumpNumber

private

Constructor & Destructor Documentation

protocols::rigid::UniformRigidBodyMover::UniformRigidBodyMover ( )

protocols::rigid::UniformRigidBodyMover::UniformRigidBodyMover	(	JumpNumber	target_jump,
		core::Real	rotation_mag_ = `3.0`,
		core::Real	translation_mag_ = `8.0`
	)

protocols::rigid::UniformRigidBodyMover::~UniformRigidBodyMover ( )

overridedefault

Member Function Documentation

void protocols::rigid::UniformRigidBodyMover::apply ( core::pose::Pose & )

overridevirtual

Main Method.

Implements protocols::moves::Mover.

References get_name(), core::pose::Pose::jump(), protocols::rigid::NO_JUMP, protocols::rigid::random, core::scoring::rg, rot(), rotation_mag_, core::pose::Pose::set_jump(), target_jump_, trans(), and translation_mag_.

moves::MoverOP protocols::rigid::UniformRigidBodyMover::clone ( ) const

overridevirtual

Return a clone of the Mover object.

clone is meant to return an OP'ed deep copy of this object. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function.

Reimplemented from protocols::moves::Mover.

utility::tag::XMLSchemaComplexTypeGeneratorOP protocols::rigid::UniformRigidBodyMover::complex_type_gen ( )

static

References protocols::moves::complex_type_name_for_mover(), protocols::rigid::NO_JUMP, and core::id::to_string().

Referenced by protocols::rigid::UniformRigidBodyCM::provide_xml_schema(), and provide_xml_schema().

moves::MoverOP protocols::rigid::UniformRigidBodyMover::fresh_instance ( ) const

overridevirtual

Generates a new Mover object freshly created with the default ctor.

fresh_instance is meant to return a new object of this class, created with the default constructor. This really should be a pure virtual in the base class, but adding pure virtuals to Mover would massively disrupt the code. This default implementation crashes at runtime instead of compiletime if you try to call it. If this code is causing you problems, your Mover needs to override this function. This is used by the August 08 job distributor.

Reimplemented from protocols::moves::Mover.

std::string protocols::rigid::UniformRigidBodyMover::get_name ( ) const

overridevirtual

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

Implements protocols::moves::Mover.

References mover_name().

Referenced by apply().

void protocols::rigid::UniformRigidBodyMover::jump_number ( JumpNumber jnum )

References target_jump_.

UniformRigidBodyMover::JumpNumber protocols::rigid::UniformRigidBodyMover::jump_number ( ) const

References target_jump_.

std::string protocols::rigid::UniformRigidBodyMover::mover_name ( )

static

Referenced by get_name(), protocols::rigid::UniformRigidBodyMoverCreator::keyname(), and provide_xml_schema().

void protocols::rigid::UniformRigidBodyMover::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 protocols::rigid::NO_JUMP, rotation_mag_, target_jump_, and translation_mag_.

bool protocols::rigid::UniformRigidBodyMover::preserve_detailed_balance ( ) const

inlineoverridevirtual

Return true if detailed balance is being preserved (i.e. no branch angle optimization).

Implements protocols::canonical_sampling::ThermodynamicMover.

void protocols::rigid::UniformRigidBodyMover::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References complex_type_gen(), and mover_name().

Referenced by protocols::rigid::UniformRigidBodyMoverCreator::provide_xml_schema().

void protocols::rigid::UniformRigidBodyMover::set_preserve_detailed_balance ( bool preserve_detailed_balance )

inlineoverridevirtual

Set to true if detailed balance should be preserved (i.e. no branch angle optimization). This will be set to true for all movers used by MetropolisHastingsMover.

Implements protocols::canonical_sampling::ThermodynamicMover.

utility::vector1< core::id::TorsionID_Range > protocols::rigid::UniformRigidBodyMover::torsion_id_ranges ( core::pose::Pose & pose )

overridevirtual

Return a list specifying which torsions may be perturbed by apply(), and the in what range each perturbation may be.

This method should probably not be pure virtual, and in fact should probably not even exist. I searched most of the codebase, and could only find it being used in one pilot app. It is also a somewhat difficult method to write, which means that most of the implementations are either untested or no-ops. It might be better to remove the method altogether and implement it on a class-by-class basis as necessary.

Implements protocols::canonical_sampling::ThermodynamicMover.