#include <RigidBodyMover.hh>

Inheritance diagram for protocols::rigid::RigidBodyDeterministicSpinMover:

Collaboration diagram for protocols::rigid::RigidBodyDeterministicSpinMover:

Public Types
typedef RigidBodySpinMover	parent

Public Types inherited from protocols::rigid::RigidBodySpinMover
typedef RigidBodyMover	parent

Public Types inherited from protocols::rigid::RigidBodyMover
typedef ThermodynamicMover	parent

Public Member Functions
	RigidBodyDeterministicSpinMover ()

	RigidBodyDeterministicSpinMover (int const rb_jump_in, core::Vector spin_axis, core::Vector rotation_center, float angle_magnitude)
	constructor with arguments spin axis is initialized to 0 then calculated during apply() if spin_axis is not already set More...

	RigidBodyDeterministicSpinMover (RigidBodyDeterministicSpinMover const &src)

	~RigidBodyDeterministicSpinMover ()

void	angle_magnitude (float angle_magnitude)

virtual void	apply (core::pose::Pose &pose)

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

Public Member Functions inherited from protocols::rigid::RigidBodySpinMover
	RigidBodySpinMover ()

	RigidBodySpinMover (int const rb_jump_in)
	constructor with arguments spin axis is initialized to 0 and then calculated during apply() More...

	RigidBodySpinMover (RigidBodySpinMover const &src)

	~RigidBodySpinMover ()

void	spin_axis (core::Vector spin_axis_in)

void	rot_center (core::Vector const rot_center_in)

Public Member Functions inherited from protocols::rigid::RigidBodyMover
	RigidBodyMover ()

	RigidBodyMover (int const rb_jump_in, Direction dir_in=n2c)

	RigidBodyMover (RigidBodyMover const &src)

virtual	~RigidBodyMover ()

void	rot_center (core::Vector const rot_center_in)
	Manual override of rotation center. More...

virtual bool	preserve_detailed_balance () const
	get whether detailed balance is preserved (i.e. no branch angle optimization during moves) More...

virtual void	set_preserve_detailed_balance (bool)
	set whether detailed balance is preserved (i.e. no branch angle optimization during moves) More...

virtual utility::vector1 < core::id::TorsionID_Range >	torsion_id_ranges (core::pose::Pose &pose)
	get the TorsionIDs perturbed by the mover during moves, along with their ranges More...

int	rb_jump () const

void	rb_jump (int jump_id)

void	unfreeze ()

void	freeze ()

Public Member Functions inherited from protocols::canonical_sampling::ThermodynamicMover
	ThermodynamicMover ()

virtual	~ThermodynamicMover ()

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 More...

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

virtual core::Real	last_proposal_density_ratio ()
	callback for proposal density ratio of 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 More...

virtual bool	is_multi_trial ()
	determine whether the move performs multiple trials on a single apply More...

virtual core::Real	last_inner_score_temperature_delta ()
	get change in internal score/temperature for last apply method of multiple trial movers More...

virtual protocols::canonical_sampling::MetropolisHastingsMoverAP	metropolis_hastings_mover ()
	get the MetropolisHastingsMover for multiple trial movers More...

virtual void	set_metropolis_hastings_mover (protocols::canonical_sampling::MetropolisHastingsMoverAP metropolis_hastings_mover)
	set the MetropolisHastingsMover for multiple trial movers More...

virtual utility::vector1 < core::id::DOF_ID_Range >	dof_id_ranges (core::pose::Pose &pose)
	get the DOF_IDs perturbed by the mover during moves (not including those returned by torsion_id_ranges(), along with their ranges More...

Public Member Functions inherited from protocols::moves::Mover
	Mover ()

virtual	~Mover ()

virtual MoverSP	create ()

virtual void	apply (core::io::serialization::PipeMap &pmap)

virtual void	parse_state (SerializableState const &state)

virtual void	parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks, MoverCacheSP cache)

virtual void	save_state (SerializableState &state)

	Mover (std::string const &type_name)
	sets the type for a mover; name_ has been removed (2010/05/14) More...

	Mover (Mover const &other)

Mover &	operator= (Mover const &other)
	assignment operator More...

std::string const &	type () const

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...

void	set_current_tag (std::string const &new_tag)

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

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...

void	type (const std::string &type_in)

virtual MoverOP	clone () const
	clone has to be overridden only if clone invocation is expected. More...

virtual void	parse_my_tag (TagPtr const tag, DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose)
	Called by MoverFactory when constructing new Movers. Takes care of the specific mover's parsing. More...

std::string	get_type () const

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...

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 bool	reinitialize_for_each_job () const
	this function informs 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
	this function informs 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
	this is like clone(), except it generates a new mover object freshly created with the default ctor. This function should be pure virtual but that would disrupt the code base; MAKE SURE YOU DEFINE IT if you want to have your mover be a protocol handed to the job distributor (august 08 vintage). More...

void	set_current_job (protocols::jobdist::BasicJobCOP job)

jobdist::BasicJobCOP	get_current_job () const

Private Attributes
float	angle_magnitude_

Friends
std::ostream &	operator<< (std::ostream &os, RigidBodySpinMover const &spinmover)

Additional Inherited Members
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. these options will end up in -help of your application if users of this mover call register_options. do this recursively! if you use movers within your mover, call their register_options in your register_options() method. More...

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...

Protected Attributes inherited from protocols::rigid::RigidBodySpinMover
core::Vector	spin_axis_

bool	update_spin_axis_

Member Typedef Documentation

typedef RigidBodySpinMover protocols::rigid::RigidBodyDeterministicSpinMover::parent

Constructor & Destructor Documentation

protocols::rigid::RigidBodyDeterministicSpinMover::RigidBodyDeterministicSpinMover ( )

References angle_magnitude_, and protocols::moves::Mover::type().

protocols::rigid::RigidBodyDeterministicSpinMover::RigidBodyDeterministicSpinMover	(	int const	rb_jump_in,
		core::Vector	spin_axis,
		core::Vector	rotation_center,
		float	angle_magnitude
	)

constructor with arguments spin axis is initialized to 0 then calculated during apply() if spin_axis is not already set

constructor with arguments takes a complete set of arguments needed for apply

References angle_magnitude(), angle_magnitude_, protocols::rigid::RigidBodySpinMover::rot_center(), protocols::rigid::RigidBodyMover::rot_center_, protocols::rigid::RigidBodySpinMover::spin_axis(), protocols::rigid::RigidBodySpinMover::spin_axis_, protocols::moves::Mover::type(), and protocols::rigid::RigidBodySpinMover::update_spin_axis_.

protocols::rigid::RigidBodyDeterministicSpinMover::RigidBodyDeterministicSpinMover ( RigidBodyDeterministicSpinMover const & src)

protocols::rigid::RigidBodyDeterministicSpinMover::~RigidBodyDeterministicSpinMover ( )

Member Function Documentation

void protocols::rigid::RigidBodyDeterministicSpinMover::angle_magnitude ( float angle_magnitude)

References angle_magnitude_.

Referenced by RigidBodyDeterministicSpinMover().

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

virtual

Reimplemented from protocols::rigid::RigidBodySpinMover.

References angle_magnitude_, protocols::geometry::centroids_by_jump(), core::pose::Pose::conformation(), protocols::rigid::RigidBodyMover::dir_, core::conformation::Conformation::downstream_jump_stub(), core::pose::Pose::jump(), protocols::rigid::RigidBodyMover::rb_jump_, protocols::rigid::RigidBodyMover::rot_center_, core::kinematics::Jump::rotation_by_axis(), core::pose::Pose::set_jump(), core::kinematics::Jump::set_rb_center(), protocols::rigid::RigidBodySpinMover::spin_axis_, protocols::rigid::TRBM(), protocols::rigid::RigidBodySpinMover::update_spin_axis_, and core::conformation::Conformation::upstream_jump_stub().

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

virtual

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

Reimplemented from protocols::rigid::RigidBodySpinMover.

Friends And Related Function Documentation

std::ostream& operator<<	(	std::ostream &	os,
		RigidBodySpinMover const &	spinmover
	)

friend

Member Data Documentation

float protocols::rigid::RigidBodyDeterministicSpinMover::angle_magnitude_

private

Referenced by angle_magnitude(), apply(), and RigidBodyDeterministicSpinMover().

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

src/protocols/rigid/RigidBodyMover.hh
src/protocols/rigid/RigidBodyMover.cc

Public Types

Public Member Functions

Private Attributes

Friends

Additional Inherited Members

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Friends And Related Function Documentation

Member Data Documentation