#include <WorkUnit_Aggressive.hh>

Inheritance diagram for protocols::mpi_refinement::WorkUnit_CombinePose:

Public Member Functions
	WorkUnit_CombinePose (core::Size nstruct=10, bool const cartesian=false)

protocols::wum::WorkUnitBaseOP	clone () const override

void	run () override
	Run the workunit - overloaded by children of this class. More...

void	init_from_cmd (const core::Size) override

void	set_maxfrac (core::Real const setting)

void	set_minfrac (core::Real const setting)

Public Member Functions inherited from protocols::mpi_refinement::WorkUnit_Sampler
	WorkUnit_Sampler ()

Public Member Functions inherited from protocols::wum::WorkUnit_SilentStructStore
	WorkUnit_SilentStructStore ()

	~WorkUnit_SilentStructStore () override=default

protocols::wum::WorkUnitBaseOP	clone () const override

void	run () override
	This Work unit doesnt do anything - its just keeps the structures. More...

void	serialize () override
	write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data More...

void	deserialize () override
	Make ready for working. More...

const protocols::wum::SilentStructStore &	decoys () const
	Accessor for decoy store. More...

protocols::wum::SilentStructStore &	decoys ()
	Accessor for decoy store. More...

Public Member Functions inherited from protocols::wum::WorkUnitBase
	WorkUnitBase ()

	~WorkUnitBase () override=default

virtual void	clear_serial_data ()
	Remove all data, make sure that the memory is also cleared, hence the cals to reserve. More...

void	print (std::ostream &out, bool verbose=false) const
	Print header information to the stream, single line by default or verbose if verbose is set to true. More...

core::Size	id ()
	Accessor to the ID of the WorkUnit. More...

core::Size	extra_data_1 ()
	Accessor to the extra_data_1 and 3 field of the header. More...

core::Size	extra_data_2 ()

core::Size	extra_data_3 ()

void	set_extra_data_1 (core::Size const value)

void	set_extra_data_2 (core::Size const value)

void	set_extra_data_3 (core::Size const value)

void	add_blacklist (int mpi_rank)
	Adds to the blacklist. More...

void	clear_blacklist ()
	Erases the blacklist. More...

bool	in_blacklist (int mpi_rank)
	Finds in blacklist, true if is, false if it isn't. More...

void	set_options (const std::string &text)
	Accesor to the "options" text field. More...

core::Size	get_run_time ()
	Returns the differrence between unix start and stop times. More...

std::string	get_wu_type () const
	Accessor to header structure, return the WorkUnit Type. More...

void	set_wu_type (const std::string &text)
	Accessor to header structure, sets the WorkUnit Type. More...

std::string	get_options () const
	Optain the options string from the header. More...

virtual core::Size	mem_footprint () const
	Return the memory usage of this WorkUnit. More...

core::Size	last_received_from ()

Protected Member Functions
void	set_nstruct (core::Size const nstruct)

void	set_cartesian (core::Size const cartesian)

core::Size	get_nstruct () const

core::Size	get_cartesian () const

void	set_defaults ()

Protected Member Functions inherited from protocols::mpi_refinement::WorkUnit_Sampler
core::kinematics::MoveMapOP	get_movemap (core::pose::Pose const &pose, std::string const &mode, bool const nonideal) const

void	store_to_decoys (core::io::silent::SilentStructCOP start_struct, core::pose::Pose const &pose, std::string const &additional_tag="")

void	store_to_decoys (core::io::silent::SilentStructCOP start_struct, core::io::silent::SilentStructOP ss, std::string const &additional_tag="")

void	repack (core::pose::Pose &pose, core::scoring::ScoreFunctionOP sfxn)

void	ramp_minpack_loop2 (core::pose::Pose &pose, utility::vector1< core::Size > const &loopres, core::scoring::ScoreFunctionCOP sfxn, bool const nonideal=true, bool const ramp=true, bool const efficient=false, core::Real dist_cut=0.0)

void	superimpose_to_ref (core::pose::Pose const &pose_ref, core::pose::Pose &pose_work, utility::vector1< core::Size > exclude_res=utility::vector1< core::Size >(0)) const

core::scoring::ScoreFunctionOP	get_energy (std::string const &sfxn_name, bool const softpack=false, core::Real const weight_coord_cst=0.0) const

void	revert_facts_params () const

Protected Member Functions inherited from protocols::wum::WorkUnitBase
void	create_unique_id ()
	Make a unique number out of Processor Number and unix timestamp ? More...

std::string &	serial_data ()
	Accessor to the serial data field. More...

const std::string &	serial_data () const
	Accessor to the serial data field. More...

void	set_run_start ()
	Set the unixtime of the start of the execution of this WorkUnit. More...

void	set_run_stop ()
	Set the unixtime of the stop of the execution of this WorkUnit. More...

Private Attributes
core::Real	maxfrac_

core::Real	minfrac_

Additional Inherited Members
Protected Attributes inherited from protocols::wum::WorkUnitBase
WU_Header	header
	The header data. More...

core::Size	last_received_from_
	Contains the serial number of whatever Rank/Node this WU was last receeived from. More...

std::vector< int >	blacklist_
	Contains blacklist of nodes. This data is NOT sent, and is only used on the sending side to determine where not to send a workunit. More...

Constructor & Destructor Documentation

protocols::mpi_refinement::WorkUnit_CombinePose::WorkUnit_CombinePose	(	core::Size	nstruct = `10`,
		bool const	cartesian = `false`
	)

References set_cartesian(), set_defaults(), and set_nstruct().

Member Function Documentation

protocols::wum::WorkUnitBaseOP protocols::mpi_refinement::WorkUnit_CombinePose::clone ( ) const

inlineoverridevirtual

Reimplemented from protocols::wum::WorkUnitBase.

core::Size protocols::mpi_refinement::WorkUnit_CombinePose::get_cartesian ( ) const

inlineprotected

References protocols::wum::WorkUnitBase::WU_Header::extra_data_2_, and protocols::wum::WorkUnitBase::header.

Referenced by run().

core::Size protocols::mpi_refinement::WorkUnit_CombinePose::get_nstruct ( ) const

inlineprotected

References protocols::wum::WorkUnitBase::WU_Header::extra_data_1_, and protocols::wum::WorkUnitBase::header.

Referenced by run().

void protocols::mpi_refinement::WorkUnit_CombinePose::init_from_cmd ( const core::Size )

overridevirtual

Reimplemented from protocols::mpi_refinement::WorkUnit_Sampler.

void protocols::mpi_refinement::WorkUnit_CombinePose::run ( )

overridevirtual

Run the workunit - overloaded by children of this class.

Implements protocols::mpi_refinement::WorkUnit_Sampler.

void protocols::mpi_refinement::WorkUnit_CombinePose::set_cartesian ( core::Size const cartesian )

inlineprotected

References protocols::wum::WorkUnitBase::WU_Header::extra_data_2_, and protocols::wum::WorkUnitBase::header.

Referenced by WorkUnit_CombinePose().

void protocols::mpi_refinement::WorkUnit_CombinePose::set_defaults ( )

protected

Referenced by WorkUnit_CombinePose(), protocols::mpi_refinement::WorkUnit_NormalMode::WorkUnit_NormalMode(), and protocols::mpi_refinement::WorkUnit_RamaPerturber::WorkUnit_RamaPerturber().

void protocols::mpi_refinement::WorkUnit_CombinePose::set_maxfrac ( core::Real const setting )

inline

References maxfrac_.

void protocols::mpi_refinement::WorkUnit_CombinePose::set_minfrac ( core::Real const setting )

inline

References minfrac_.

void protocols::mpi_refinement::WorkUnit_CombinePose::set_nstruct ( core::Size const nstruct )

inlineprotected

References protocols::wum::WorkUnitBase::WU_Header::extra_data_1_, and protocols::wum::WorkUnitBase::header.

Referenced by WorkUnit_CombinePose().

Member Data Documentation

core::Real protocols::mpi_refinement::WorkUnit_CombinePose::maxfrac_

private

Referenced by run(), and set_maxfrac().

core::Real protocols::mpi_refinement::WorkUnit_CombinePose::minfrac_

private

Referenced by run(), and set_minfrac().

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

src/protocols/mpi_refinement/WorkUnit_Aggressive.hh
src/protocols/mpi_refinement/WorkUnit_Aggressive.cc

Public Member Functions

Protected Member Functions

Private Attributes

Additional Inherited Members

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation