#include <DesignTask.hh>

Inheritance diagram for protocols::flxbb::DesignTask:

Collaboration diagram for protocols::flxbb::DesignTask:

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 (Size const ncycle, ScoreFunctionOP const sfxn, MoverOP const mover, FilterStructsOP const filter_structs=0, PackerTaskOP const taskf=0, String const &resfile="")
	value constructor More...

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

virtual	~DesignTask ()
	destructor More...

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

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 (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
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...

Detailed Description

Definition at line 44 of file DesignTask.hh.

Member Typedef Documentation

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

Definition at line 55 of file DesignTask.hh.

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

Definition at line 54 of file DesignTask.hh.

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

Definition at line 53 of file DesignTask.hh.

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

Definition at line 51 of file DesignTask.hh.

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

Definition at line 49 of file DesignTask.hh.

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

Definition at line 50 of file DesignTask.hh.

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

Definition at line 48 of file DesignTask.hh.

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

Definition at line 47 of file DesignTask.hh.

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

Definition at line 52 of file DesignTask.hh.

Constructor & Destructor Documentation

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

default constructor

Definition at line 51 of file DesignTask.cc.

References resfile_.

protocols::flxbb::DesignTask::DesignTask	(	Size const	ncycle,
		ScoreFunctionOP const	sfxn,
		MoverOP const	mover,
		FilterStructsOP const	filter_structs = `0`,
		PackerTaskOP const	taskf = `0`,
		String const &	resfile = `""`
	)

value constructor

Definition at line 63 of file DesignTask.cc.

References resfile_.

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

copy constructor

value constructor

Definition at line 82 of file DesignTask.cc.

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

virtual

destructor

Definition at line 93 of file DesignTask.cc.

Member Function Documentation

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

add task operation

Definition at line 195 of file DesignTask.cc.

References task_operations_.

Referenced by add_task_operations().

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

add task operations

Definition at line 187 of file DesignTask.cc.

References add_task_operation().

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

output packertask

Definition at line 180 of file DesignTask.cc.

References task_.

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

filter during fixbb design

Definition at line 118 of file DesignTask.cc.

References filter_structs_.

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

mover after fixbb design

Definition at line 111 of file DesignTask.cc.

References mover_.

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

the number of cycles of fixbb design and mover

Definition at line 97 of file DesignTask.cc.

References ncycle_.

Referenced by set_ncycle().

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

packer task for fixbb design

Definition at line 125 of file DesignTask.cc.

References task_.

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

resfile

Definition at line 132 of file DesignTask.cc.

References resfile_.

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

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

scorefxn for fixbb design

Definition at line 104 of file DesignTask.cc.

References scorefxn_.

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

filter during fixbb design

Definition at line 160 of file DesignTask.cc.

References filter_structs_.

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

mover after fixbb design

Definition at line 153 of file DesignTask.cc.

References mover_.

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

the number of cycles of design and mover

the number of cycles of fixbb design and mover

Definition at line 139 of file DesignTask.cc.

References ncycle(), and ncycle_.

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

packer task

packer task for fixbb design

Definition at line 167 of file DesignTask.cc.

References task_.

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

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

set resfile

Definition at line 174 of file DesignTask.cc.

References resfile(), and resfile_.

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

scorefxn for fixbb design

filter during fixbb design

Definition at line 146 of file DesignTask.cc.

References scorefxn_.

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

FilterStructsOP protocols::flxbb::DesignTask::filter_structs_

private

filter during fixbb design

Definition at line 160 of file DesignTask.hh.

Referenced by filter_structs(), and set_filter_structs().

MoverOP protocols::flxbb::DesignTask::mover_

private

mover after fixbb design

Definition at line 157 of file DesignTask.hh.

Referenced by mover(), and set_mover().

Size protocols::flxbb::DesignTask::ncycle_

private

the number of cycles of design and mover

Definition at line 151 of file DesignTask.hh.

Referenced by ncycle(), and set_ncycle().

String protocols::flxbb::DesignTask::resfile_

private

resfile name

Definition at line 166 of file DesignTask.hh.

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

ScoreFunctionOP protocols::flxbb::DesignTask::scorefxn_

private

scorefxn for fixbb design

Definition at line 154 of file DesignTask.hh.

Referenced by scorefxn(), and set_scorefxn().

PackerTaskOP protocols::flxbb::DesignTask::task_

private

packertask used for fixbb design

Definition at line 163 of file DesignTask.hh.

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

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

protected

task operations

Definition at line 144 of file DesignTask.hh.

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

Detailed Description

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation