core::pack::task::operation::OptH Class Reference

run optH; disallowed positions may be set to prevent optimization for those residues More...

#include <OptH.hh>

Inheritance diagram for core::pack::task::operation::OptH:

Collaboration diagram for core::pack::task::operation::OptH:

Public Types
typedef core::Size	Size
typedef core::pack::task::PackerTask	PackerTask
typedef core::pack::task::operation::TaskOperationOP	TaskOperationOP
typedef core::pose::Pose	Pose
Public Types inherited from core::pack::task::operation::TaskOperation
typedef utility::tag::TagPtr	TagPtr
typedef pose::Pose	Pose

Public Member Functions
	OptH ()
	default constructor More...
	OptH (OptH const &rval)
	copy constructor More...
virtual	~OptH ()
	default destructor More...
virtual TaskOperationOP	clone () const
	clone this object More...
virtual void	apply (Pose const &, PackerTask &task) const
	apply operations to PackerTask More...
void	disallow_resid (Size const resid)
	prevent a position from being optimized More...
void	init_from_comand_line (bool const flag)
	init flags from command line? (default true) More...
void	include_current (bool const flag)
	include current sidechain rotamers? (default true) More...
void	flip_HNQ (bool const flag)
	allow sidechain flips of HNQ? (default false) More...
void	use_multicool_annealer (bool const flag)
	use multicool annealer? (default false) More...
Public Member Functions inherited from core::pack::task::operation::TaskOperation
virtual	~TaskOperation ()
virtual void	parse_tag (TagPtr)
	Used to parse an xml-like tag to load parameters and properties. More...
virtual void	parse_def (utility::lua::LuaObject const &def)

Private Types
typedef core::pack::task::operation::TaskOperation	Super

Private Attributes
utility::vector1< Size >	disallowed_resids_
	prevent these positions from being optimized More...
bool	init_from_command_line_
	init flags from command line? (default true) More...
bool	include_current_
	include current sidechain rotamers? (default true) More...
bool	flip_HNQ_
	allow sidechain flips of HNQ? (default false) More...
bool	use_multicool_annealer_
	use multicool annealer? (default false) More...

Detailed Description

run optH; disallowed positions may be set to prevent optimization for those residues

Definition at line 43 of file OptH.hh.

Member Typedef Documentation

typedef core::pack::task::PackerTask core::pack::task::operation::OptH::PackerTask

Definition at line 56 of file OptH.hh.

typedef core::pose::Pose core::pack::task::operation::OptH::Pose

Definition at line 58 of file OptH.hh.

typedef core::Size core::pack::task::operation::OptH::Size

Definition at line 55 of file OptH.hh.

typedef core::pack::task::operation::TaskOperation core::pack::task::operation::OptH::Super

private

Definition at line 49 of file OptH.hh.

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

Definition at line 57 of file OptH.hh.

Constructor & Destructor Documentation

core::pack::task::operation::OptH::OptH

(

)

default constructor

Definition at line 33 of file OptH.cc.

Referenced by clone().

core::pack::task::operation::OptH::OptH

(

OptH const &

rval)

copy constructor

Definition at line 43 of file OptH.cc.

core::pack::task::operation::OptH::~OptH ( )

virtual

default destructor

Definition at line 54 of file OptH.cc.

Member Function Documentation

void core::pack::task::operation::OptH::apply ( Pose const &  , PackerTask &  task  ) const

virtual

apply operations to PackerTask

Implements core::pack::task::operation::TaskOperation.

Definition at line 68 of file OptH.cc.

References disallowed_resids_, flip_HNQ_, include_current_, init_from_command_line_, core::pack::task::PackerTask::initialize_from_command_line(), core::pack::task::PackerTask::nonconst_residue_task(), core::pack::task::PackerTask::or_flip_HNQ(), core::pack::task::PackerTask::or_include_current(), core::pack::task::PackerTask::or_multi_cool_annealer(), core::pack::task::PackerTask::or_optimize_h_mode(), core::pack::task::ResidueLevelTask::prevent_repacking(), and use_multicool_annealer_.

Referenced by core::pack::task::operation::OptCysHG::apply().

OptH::TaskOperationOP core::pack::task::operation::OptH::clone ( ) const

virtual

clone this object

Implements core::pack::task::operation::TaskOperation.

Definition at line 62 of file OptH.cc.

References OptH().

void core::pack::task::operation::OptH::disallow_resid

(

Size const

resid)

prevent a position from being optimized

Definition at line 86 of file OptH.cc.

References disallowed_resids_.

Referenced by core::pack::task::operation::OptCysHG::apply().

void core::pack::task::operation::OptH::flip_HNQ

(

bool const

flag)

allow sidechain flips of HNQ? (default false)

Definition at line 104 of file OptH.cc.

References flip_HNQ_.

void core::pack::task::operation::OptH::include_current

(

bool const

flag)

include current sidechain rotamers? (default true)

Definition at line 98 of file OptH.cc.

References include_current_.

void core::pack::task::operation::OptH::init_from_comand_line

(

bool const

flag)

init flags from command line? (default true)

Definition at line 92 of file OptH.cc.

References init_from_command_line_.

void core::pack::task::operation::OptH::use_multicool_annealer

(

bool const

flag)

use multicool annealer? (default false)

Definition at line 110 of file OptH.cc.

References use_multicool_annealer_.

Member Data Documentation

utility::vector1< Size > core::pack::task::operation::OptH::disallowed_resids_

private

prevent these positions from being optimized

Definition at line 114 of file OptH.hh.

Referenced by apply(), and disallow_resid().

bool core::pack::task::operation::OptH::flip_HNQ_

private

allow sidechain flips of HNQ? (default false)

Definition at line 127 of file OptH.hh.

Referenced by apply(), and flip_HNQ().

bool core::pack::task::operation::OptH::include_current_

private

include current sidechain rotamers? (default true)

Definition at line 123 of file OptH.hh.

Referenced by apply(), and include_current().

bool core::pack::task::operation::OptH::init_from_command_line_

private

init flags from command line? (default true)

Definition at line 119 of file OptH.hh.

Referenced by apply(), and init_from_comand_line().

bool core::pack::task::operation::OptH::use_multicool_annealer_

private

use multicool annealer? (default false)

Definition at line 131 of file OptH.hh.

Referenced by apply(), and use_multicool_annealer().

---

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

• src/core/pack/task/operation/OptH.hh
• src/core/pack/task/operation/OptH.cc