#include <WorkUnit_Relax.hh>

Inheritance diagram for protocols::mpi_refinement::WorkUnit_bbGauss:

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Public Member Functions
	WorkUnit_bbGauss (core::Size const nstruct=0, core::Real const kT=0.5, bool const centroid=false, bool const on_defined_segment=false)

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

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

void	set_nstruct (core::Size setting)

void	set_kT (core::Real const setting)

void	set_centroid (core::Size setting)

void	set_segdef (core::Size setting)

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

virtual void	init_from_cmd (const core::Size mpi_rank)

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
core::Size	get_nstruct ()

core::Real	get_kT ()

core::Size	get_centroid ()

core::Size	get_segdef ()

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...

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

◆ WorkUnit_bbGauss()

protocols::mpi_refinement::WorkUnit_bbGauss::WorkUnit_bbGauss	(	core::Size const	nstruct = `0`,
		core::Real const	kT = `0.5`,
		bool const	centroid = `false`,
		bool const	on_defined_segment = `false`
	)