#include <DesignTask.hh>

Inheritance diagram for protocols::flxbb::DesignTask:

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Public Types
typedef std::string	String

typedef core::Size	Size

typedef core::pose::Pose	Pose

typedef core::scoring::ScoreFunctionOP	ScoreFunctionOP

typedef core::pack::task::PackerTaskOP	PackerTaskOP

typedef core::pack::task::operation::TaskOperationOP	TaskOperationOP

typedef protocols::moves::MoverOP	MoverOP

typedef protocols::flxbb::FilterStructsOP	FilterStructsOP

typedef core::chemical::AA	AA

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

	DesignTask (core::Size const ncycle, ScoreFunctionOP const sfxn, MoverOP const mover, FilterStructsOP const filter_structs=nullptr, PackerTaskOP const taskf=nullptr, String const &resfile="")
	value constructor More...

	DesignTask (DesignTask const &rval)
	copy constructor More...

	~DesignTask () override
	destructor More...

virtual void	setup (Pose const &, PackerTaskOP const)=0
	setup packer task More...

core::Size	ncycle () const
	the number of cycles of fixbb design and mover More...

ScoreFunctionOP	scorefxn () const
	scorefxn for fixbb design More...

MoverOP	mover () const
	mover after fixbb design More...

FilterStructsOP	filter_structs () const
	filter during fixbb design More...

PackerTaskOP	packertask () const
	packer task for fixbb design More...

String	resfile () const
	resfile More...

void	set_ncycle (core::Size const &ncycle)
	the number of cycles of design and mover More...

void	set_scorefxn (ScoreFunctionOP const sfxn)
	scorefxn for fixbb design More...

void	set_mover (MoverOP const value)
	mover after fixbb design More...

void	set_filter_structs (FilterStructsOP const value)
	filter during fixbb design More...

void	set_packertask (PackerTaskOP const taskf)
	packer task More...

void	set_resfile (String const &resfile)
	set resfile More...

void	add_task_operations (utility::vector1< TaskOperationOP > const &top)
	add task operations More...

void	add_task_operation (TaskOperationOP const top)
	add task operation More...

void	dump_packertask (std::ostream &os)
	output packertask More...

Protected Attributes
utility::vector1< TaskOperationOP >	task_operations_
	task operations More...

Private Attributes
core::Size	ncycle_
	the number of cycles of design and mover More...

ScoreFunctionOP	scorefxn_
	scorefxn for fixbb design More...

MoverOP	mover_
	mover after fixbb design More...

FilterStructsOP	filter_structs_
	filter during fixbb design More...

PackerTaskOP	task_
	packertask used for fixbb design More...

String	resfile_
	resfile name More...

Member Typedef Documentation

◆ AA

typedef core::chemical::AA protocols::flxbb::DesignTask::AA

◆ FilterStructsOP

typedef protocols::flxbb::FilterStructsOP protocols::flxbb::DesignTask::FilterStructsOP

◆ MoverOP

typedef protocols::moves::MoverOP protocols::flxbb::DesignTask::MoverOP

◆ PackerTaskOP

typedef core::pack::task::PackerTaskOP protocols::flxbb::DesignTask::PackerTaskOP

◆ Pose

typedef core::pose::Pose protocols::flxbb::DesignTask::Pose

◆ ScoreFunctionOP

typedef core::scoring::ScoreFunctionOP protocols::flxbb::DesignTask::ScoreFunctionOP

◆ Size

typedef core::Size protocols::flxbb::DesignTask::Size

◆ String

typedef std::string protocols::flxbb::DesignTask::String

◆ TaskOperationOP

typedef core::pack::task::operation::TaskOperationOP protocols::flxbb::DesignTask::TaskOperationOP

Constructor & Destructor Documentation

◆ DesignTask() [1/3]

protocols::flxbb::DesignTask::DesignTask ( )

default constructor

References resfile_.

◆ DesignTask() [2/3]

protocols::flxbb::DesignTask::DesignTask	(	core::Size const	ncycle,
		ScoreFunctionOP const	sfxn,
		MoverOP const	mover,
		FilterStructsOP const	filter_structs = `nullptr`,
		PackerTaskOP const	taskf = `nullptr`,
		String const &	resfile = `""`
	)

value constructor

References resfile_.

◆ DesignTask() [3/3]

protocols::flxbb::DesignTask::DesignTask ( DesignTask const & rval )

copy constructor

value constructor

◆ ~DesignTask()

protocols::flxbb::DesignTask::~DesignTask ( )

overridedefault

destructor

Member Function Documentation

◆ add_task_operation()

void protocols::flxbb::DesignTask::add_task_operation ( TaskOperationOP const top )

add task operation

References task_operations_.

Referenced by add_task_operations().

◆ add_task_operations()

void protocols::flxbb::DesignTask::add_task_operations ( utility::vector1< TaskOperationOP > const & top )

add task operations

References add_task_operation().

◆ dump_packertask()

void protocols::flxbb::DesignTask::dump_packertask ( std::ostream & os )

output packertask

References task_.

◆ filter_structs()

DesignTask::FilterStructsOP protocols::flxbb::DesignTask::filter_structs ( ) const

filter during fixbb design

References filter_structs_.

◆ mover()

DesignTask::MoverOP protocols::flxbb::DesignTask::mover ( ) const

mover after fixbb design

References mover_.

◆ ncycle()

Size protocols::flxbb::DesignTask::ncycle ( ) const

the number of cycles of fixbb design and mover

References ncycle_.

Referenced by set_ncycle().

◆ packertask()

DesignTask::PackerTaskOP protocols::flxbb::DesignTask::packertask ( ) const

packer task for fixbb design

References task_.

◆ resfile()

DesignTask::String protocols::flxbb::DesignTask::resfile ( ) const

resfile

References resfile_.

Referenced by set_resfile(), protocols::flxbb::DesignTask_Normal::setup(), and protocols::flxbb::DesignTask_Layer::setup().

◆ scorefxn()

DesignTask::ScoreFunctionOP protocols::flxbb::DesignTask::scorefxn ( ) const

scorefxn for fixbb design

References scorefxn_.

◆ set_filter_structs()

void protocols::flxbb::DesignTask::set_filter_structs ( FilterStructsOP const value )

filter during fixbb design

References filter_structs_.

◆ set_mover()

void protocols::flxbb::DesignTask::set_mover ( MoverOP const value )

mover after fixbb design

References mover_.

◆ set_ncycle()

void protocols::flxbb::DesignTask::set_ncycle ( core::Size const & ncycle )

the number of cycles of design and mover

the number of cycles of fixbb design and mover

References ncycle(), and ncycle_.

◆ set_packertask()

void protocols::flxbb::DesignTask::set_packertask ( PackerTaskOP const taskf )

packer task

packer task for fixbb design

References task_.

Referenced by protocols::flxbb::DesignTask_Normal::setup(), and protocols::flxbb::DesignTask_Layer::setup().

◆ set_resfile()

void protocols::flxbb::DesignTask::set_resfile ( String const & resfile )

set resfile

References resfile(), and resfile_.

◆ set_scorefxn()

void protocols::flxbb::DesignTask::set_scorefxn ( ScoreFunctionOP const sfxn )

scorefxn for fixbb design

filter during fixbb design

References scorefxn_.

◆ setup()

virtual void protocols::flxbb::DesignTask::setup	(	Pose const &	,
		PackerTaskOP const
	)

pure virtual

setup packer task

Implemented in protocols::flxbb::DesignTask_Layer, and protocols::flxbb::DesignTask_Normal.

Member Data Documentation

◆ filter_structs_

FilterStructsOP protocols::flxbb::DesignTask::filter_structs_

private

filter during fixbb design

Referenced by filter_structs(), and set_filter_structs().

◆ mover_

MoverOP protocols::flxbb::DesignTask::mover_

private

mover after fixbb design

Referenced by mover(), and set_mover().

◆ ncycle_

core::Size protocols::flxbb::DesignTask::ncycle_

private

the number of cycles of design and mover

Referenced by ncycle(), and set_ncycle().

◆ resfile_

String protocols::flxbb::DesignTask::resfile_

private

resfile name

Referenced by DesignTask(), resfile(), and set_resfile().

◆ scorefxn_

ScoreFunctionOP protocols::flxbb::DesignTask::scorefxn_

private

scorefxn for fixbb design

Referenced by scorefxn(), and set_scorefxn().

◆ task_

PackerTaskOP protocols::flxbb::DesignTask::task_

private

packertask used for fixbb design

Referenced by dump_packertask(), packertask(), and set_packertask().

◆ task_operations_

utility::vector1< TaskOperationOP > protocols::flxbb::DesignTask::task_operations_

protected

task operations

Referenced by add_task_operation(), protocols::flxbb::DesignTask_Normal::setup(), and protocols::flxbb::DesignTask_Layer::setup().

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

src/protocols/flxbb/DesignTask.hh
src/protocols/flxbb/DesignTask.cc

Public Types

Public Member Functions

Protected Attributes

Private Attributes

Member Typedef Documentation

◆ AA

◆ FilterStructsOP

◆ MoverOP

◆ PackerTaskOP

◆ Pose

◆ ScoreFunctionOP

◆ Size

◆ String

◆ TaskOperationOP

Constructor & Destructor Documentation

◆ DesignTask() [1/3]

◆ DesignTask() [2/3]

◆ DesignTask() [3/3]

◆ ~DesignTask()

Member Function Documentation

◆ add_task_operation()

◆ add_task_operations()

◆ dump_packertask()

◆ filter_structs()

◆ mover()

◆ ncycle()

◆ packertask()

◆ resfile()

◆ scorefxn()

◆ set_filter_structs()

◆ set_mover()

◆ set_ncycle()

◆ set_packertask()

◆ set_resfile()

◆ set_scorefxn()

◆ setup()

Member Data Documentation

◆ filter_structs_

◆ mover_

◆ ncycle_

◆ resfile_

◆ scorefxn_

◆ task_

◆ task_operations_