A mover that repeatedly applies a sub-mover (up to a given maximum) until the given filter returns values within a certain delta for a given number of cycles. More...

#include <IteratedConvergenceMover.hh>

Inheritance diagram for protocols::moves::IteratedConvergenceMover:

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Collaboration diagram for protocols::moves::IteratedConvergenceMover:

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Public Member Functions
	IteratedConvergenceMover ()
	default constructor More...

	IteratedConvergenceMover (MoverOP submover, filters::FilterCOP filter, core::Real delta=0.1, core::Size cycles=1, core::Size maxcycles=1000)

virtual	~IteratedConvergenceMover ()

	IteratedConvergenceMover (IteratedConvergenceMover const &other)

virtual void	apply (Pose &pose)

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

virtual void	parse_my_tag (TagPtr const, DataMap &, Filters_map const &, Movers_map const &, Pose const &)
	parse XML (specifically in the context of the parser/scripting scheme) More...

virtual MoverOP	fresh_instance () const
	required in the context of the parser/scripting scheme More...

virtual MoverOP	clone () const
	required in the context of the parser/scripting scheme More...

void	submover (MoverOP mover)

void	filter (filters::FilterCOP filter)

void	delta (core::Real delta)

void	cycles (core::Size cycles)

void	maxcycles (core::Size maxcycles)

MoverOP	submover () const

filters::FilterCOP	filter () const

core::Real	delta () const

core::Size	cycles () const

core::Size	maxcycles () const

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...

virtual core::Real	last_proposal_density_ratio ()

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)

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...

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

jobdist::BasicJobCOP	get_current_job () const

Private Attributes
MoverOP	submover_

filters::FilterCOP	filter_

core::Real	delta_

core::Size	cycles_

core::Size	maxcycles_

Additional Inherited Members
Public Types inherited from protocols::moves::Mover
typedef utility::tag::TagPtr	TagPtr

typedef core::pose::Pose	Pose

typedef core::pose::PoseCOP	PoseCOP

typedef protocols::filters::Filters_map	Filters_map

typedef std::list< std::string >	Strings

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...

Detailed Description

A mover that repeatedly applies a sub-mover (up to a given maximum) until the given filter returns values within a certain delta for a given number of cycles.

Definition at line 36 of file IteratedConvergenceMover.hh.

Constructor & Destructor Documentation

protocols::moves::IteratedConvergenceMover::IteratedConvergenceMover ( )

default constructor

Definition at line 60 of file IteratedConvergenceMover.cc.

Referenced by clone(), and fresh_instance().

protocols::moves::IteratedConvergenceMover::IteratedConvergenceMover	(	MoverOP	submover,
		filters::FilterCOP	filter,
		core::Real	delta = `0.1`,
		core::Size	cycles = `1`,
		core::Size	maxcycles = `1000`
	)

Definition at line 67 of file IteratedConvergenceMover.cc.

References delta().

protocols::moves::IteratedConvergenceMover::~IteratedConvergenceMover ( )

virtual

Definition at line 77 of file IteratedConvergenceMover.cc.

protocols::moves::IteratedConvergenceMover::IteratedConvergenceMover ( IteratedConvergenceMover const & other)

Definition at line 79 of file IteratedConvergenceMover.cc.

Member Function Documentation

void protocols::moves::IteratedConvergenceMover::apply ( Pose & pose)

virtual

Implements protocols::moves::Mover.

Definition at line 90 of file IteratedConvergenceMover.cc.

References cycles_, delta_, filter_, maxcycles_, submover_, and protocols::moves::TR().

MoverOP protocols::moves::IteratedConvergenceMover::clone ( ) const

virtual

required in the context of the parser/scripting scheme

Reimplemented from protocols::moves::Mover.

Definition at line 170 of file IteratedConvergenceMover.cc.

References IteratedConvergenceMover().

void protocols::moves::IteratedConvergenceMover::cycles ( core::Size cycles)

Definition at line 195 of file IteratedConvergenceMover.cc.

References cycles(), and cycles_.

core::Size protocols::moves::IteratedConvergenceMover::cycles ( ) const

Definition at line 202 of file IteratedConvergenceMover.cc.

References cycles_.

Referenced by cycles(), and parse_my_tag().

void protocols::moves::IteratedConvergenceMover::delta ( core::Real delta)

Definition at line 188 of file IteratedConvergenceMover.cc.

References delta(), and delta_.

core::Real protocols::moves::IteratedConvergenceMover::delta ( ) const

Definition at line 201 of file IteratedConvergenceMover.cc.

References delta_.

Referenced by delta(), IteratedConvergenceMover(), and parse_my_tag().

void protocols::moves::IteratedConvergenceMover::filter ( filters::FilterCOP filter)

Definition at line 182 of file IteratedConvergenceMover.cc.

References filter(), and filter_.

filters::FilterCOP protocols::moves::IteratedConvergenceMover::filter ( ) const

Definition at line 200 of file IteratedConvergenceMover.cc.

References filter_.

Referenced by filter(), and parse_my_tag().

MoverOP protocols::moves::IteratedConvergenceMover::fresh_instance ( ) const

virtual

required in the context of the parser/scripting scheme

Reimplemented from protocols::moves::Mover.

Definition at line 163 of file IteratedConvergenceMover.cc.

References IteratedConvergenceMover().

std::string protocols::moves::IteratedConvergenceMover::get_name ( ) const

virtual

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

Implements protocols::moves::Mover.

Definition at line 119 of file IteratedConvergenceMover.cc.

References protocols::moves::IteratedConvergenceMoverCreator::mover_name().

void protocols::moves::IteratedConvergenceMover::maxcycles ( core::Size maxcycles)

Definition at line 196 of file IteratedConvergenceMover.cc.

References maxcycles(), and maxcycles_.

core::Size protocols::moves::IteratedConvergenceMover::maxcycles ( ) const

Definition at line 203 of file IteratedConvergenceMover.cc.

References maxcycles_.

Referenced by maxcycles(), and parse_my_tag().

void protocols::moves::IteratedConvergenceMover::parse_my_tag	(	TagPtr const	tag,
		DataMap &	,
		Filters_map const &	filters,
		Movers_map const &	movers,
		Pose const &
	)