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:

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::TagCOP	TagCOP
typedef basic::datacache::DataMap	DataMap
typedef pose::Pose	Pose

Public Member Functions
	OptH ()
	default constructor More...
	OptH (OptH const &rval)
	copy constructor More...
	~OptH () override
	default destructor More...
TaskOperationOP	clone () const override
	clone this object More...
void	apply (Pose const &, PackerTask &task) const override
	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
	~TaskOperation () override
virtual void	parse_tag (TagCOP, DataMap &)
	Used to parse an xml-like tag to load parameters and properties. More...
virtual void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const
	Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Static Public Member Functions
static std::string	keyname ()
static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

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

Member Typedef Documentation

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

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

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

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

private

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

Constructor & Destructor Documentation

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

(

)

default constructor

core::pack::task::operation::OptH::OptH ( OptH const &  rval )

default

copy constructor

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

overridedefault

default destructor

Member Function Documentation

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

overridevirtual

apply operations to PackerTask

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

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

overridevirtual

clone this object

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

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

(

Size const

resid

)

prevent a position from being optimized

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)

References flip_HNQ_.

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

(

bool const

flag

)

include current sidechain rotamers? (default true)

References include_current_.

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

(

bool const

flag

)

init flags from command line? (default true)

References init_from_command_line_.

std::string core::pack::task::operation::OptH::keyname ( )

static

Referenced by core::pack::task::operation::OptHCreator::keyname(), and provide_xml_schema().

void core::pack::task::operation::OptH::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

References keyname(), and core::pack::task::operation::task_op_schema_empty().

Referenced by core::pack::task::operation::OptHCreator::provide_xml_schema().

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

(

bool const

flag

)

use multicool annealer? (default false)

References use_multicool_annealer_.

Member Data Documentation

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

private

prevent these positions from being optimized

Referenced by apply(), and disallow_resid().

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

private

allow sidechain flips of HNQ? (default false)

Referenced by apply(), and flip_HNQ().

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

private

include current sidechain rotamers? (default true)

Referenced by apply(), and include_current().

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

private

init flags from command line? (default true)

Referenced by apply(), and init_from_comand_line().

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

private

use multicool annealer? (default false)

Referenced by apply(), and use_multicool_annealer().

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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