protocols::simple_task_operations::RestrictToInterface Class Reference

#include <RestrictToInterface.hh>

Inheritance diagram for protocols::simple_task_operations::RestrictToInterface:

Public Types
typedef core::pack::task::operation::TaskOperation	TaskOperation
typedef core::pack::task::operation::TaskOperationOP	TaskOperationOP
typedef InterfaceTaskOperation	parent
Public Types inherited from protocols::simple_task_operations::InterfaceTaskOperation
typedef core::pack::task::operation::TaskOperation	TaskOperation
typedef core::pack::task::operation::TaskOperationOP	TaskOperationOP
typedef TaskOperation	parent
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
	RestrictToInterface ()
	RestrictToInterface (int rb_jump_in, core::Real distance_in=8)
	RestrictToInterface (utility::vector1_int rb_jump_in, core::Real distance_in=8, bool include_all_water_in=false)
	Constructor with arguments for multiple jumps. More...
	RestrictToInterface (utility::vector1_int rb_jump_in, ObjexxFCL::FArray1D_bool loop_residues)
	RestrictToInterface (ObjexxFCL::FArray1D_bool loop_residues)
	RestrictToInterface (utility::vector1< bool > loop_residues)
	~RestrictToInterface () override
void	add_jump (int rb_jump_in)
TaskOperationOP	clone () const override
	Create another task operation of the type matching the most-derived version of the class. More...
void	rb_jump (int jump_in)
void	rb_chain (int chain_in)
void	distance (core::Real const distance_in)
void	symmetric_task (core::pose::Pose const &pose, core::pack::task::PackerTask &task) const
void	apply (core::pose::Pose const &pose, core::pack::task::PackerTask &task) const override
	Change a packer task in some way. The input pose is the one to which the input task will be later applied. More...
void	parse_tag (TagCOP, DataMap &) override
	Used to parse an xml-like tag to load parameters and properties. More...
Public Member Functions inherited from protocols::simple_task_operations::InterfaceTaskOperation
	InterfaceTaskOperation ()
	InterfaceTaskOperation (InterfaceTaskOperation const &old_instance)
	~InterfaceTaskOperation () override
void	set_movable_jumps (utility::vector1_int const &movable_jumps)
void	add_movable_jump (int const additional_jump)
void	set_movable_chains (utility::vector1_int const &movable_chains)
void	add_movable_chain (int const additional_chain)
utility::vector1_int const &	movable_jumps () const
utility::vector1_int const &	movable_chains () const
Public Member Functions inherited from core::pack::task::operation::TaskOperation
	~TaskOperation () override
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 void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
static std::string	keyname ()
Static Public Member Functions inherited from protocols::simple_task_operations::InterfaceTaskOperation
static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
static std::string	keyname ()

Private Attributes
core::Real	distance_
bool	loopy_interface_
bool	include_all_water_
ObjexxFCL::FArray1D_bool	loop_residues_

Member Typedef Documentation

parent

typedef InterfaceTaskOperation protocols::simple_task_operations::RestrictToInterface::parent

TaskOperation

typedef core::pack::task::operation::TaskOperation protocols::simple_task_operations::RestrictToInterface::TaskOperation

TaskOperationOP

typedef core::pack::task::operation::TaskOperationOP protocols::simple_task_operations::RestrictToInterface::TaskOperationOP

Constructor & Destructor Documentation

RestrictToInterface() [1/6]

protocols::simple_task_operations::RestrictToInterface::RestrictToInterface ( )

inline

References protocols::simple_task_operations::InterfaceTaskOperation::set_movable_jumps().

RestrictToInterface() [2/6]

protocols::simple_task_operations::RestrictToInterface::RestrictToInterface ( int  rb_jump_in, core::Real  distance_in = 8  )

inline

References protocols::simple_task_operations::InterfaceTaskOperation::set_movable_jumps().

RestrictToInterface() [3/6]

protocols::simple_task_operations::RestrictToInterface::RestrictToInterface ( utility::vector1_int  rb_jump_in, core::Real  distance_in = 8, bool  include_all_water_in = false  )

inline

Constructor with arguments for multiple jumps.

References protocols::simple_task_operations::InterfaceTaskOperation::set_movable_jumps().

RestrictToInterface() [4/6]

protocols::simple_task_operations::RestrictToInterface::RestrictToInterface ( utility::vector1_int  rb_jump_in, ObjexxFCL::FArray1D_bool  loop_residues  )

inline

References loop_residues_, and protocols::simple_task_operations::InterfaceTaskOperation::set_movable_jumps().

RestrictToInterface() [5/6]

protocols::simple_task_operations::RestrictToInterface::RestrictToInterface ( ObjexxFCL::FArray1D_bool  loop_residues )

inline

References loop_residues_.

RestrictToInterface() [6/6]

protocols::simple_task_operations::RestrictToInterface::RestrictToInterface

(

utility::vector1< bool >

loop_residues

)

References loop_residues_, and protocols::simple_task_operations::InterfaceTaskOperation::set_movable_jumps().

~RestrictToInterface()

protocols::simple_task_operations::RestrictToInterface::~RestrictToInterface ( )

overridedefault

Member Function Documentation

add_jump()

void protocols::simple_task_operations::RestrictToInterface::add_jump ( int  rb_jump_in )

inline

References protocols::simple_task_operations::InterfaceTaskOperation::add_movable_jump().

apply()

void protocols::simple_task_operations::RestrictToInterface::apply ( core::pose::Pose const &  , core::pack::task::PackerTask &    ) const

overridevirtual

Change a packer task in some way. The input pose is the one to which the input task will be later applied.

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

References distance_, core::pose::Pose::fold_tree(), core::pose::get_jump_id_from_chain_id(), include_all_water_, core::chemical::ResidueType::is_ligand(), core::pose::symmetry::is_symmetric(), core::chemical::ResidueType::is_water(), core::conformation::Residue::is_water(), loop_residues_, loopy_interface_, protocols::simple_task_operations::InterfaceTaskOperation::movable_chains(), protocols::simple_task_operations::InterfaceTaskOperation::movable_jumps(), core::conformation::Residue::nbr_atom(), core::chemical::ResidueType::nheavyatoms(), core::pack::task::PackerTask::nonconst_residue_task(), core::kinematics::FoldTree::partition_by_jump(), core::pack::task::ResidueLevelTask::prevent_repacking(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), core::pose::Pose::size(), symmetric_task(), core::pose::Pose::total_residue(), and core::conformation::Residue::xyz().

Referenced by protocols::simple_ddg::ddG::setup_task().

clone()

core::pack::task::operation::TaskOperationOP protocols::simple_task_operations::RestrictToInterface::clone ( ) const

overridevirtual

Create another task operation of the type matching the most-derived version of the class.

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

distance()

void protocols::simple_task_operations::RestrictToInterface::distance

(

core::Real const

distance_in

)

References distance_.

Referenced by protocols::simple_ddg::ddG::setup_task().

keyname()

static std::string protocols::simple_task_operations::RestrictToInterface::keyname ( )

inlinestatic

Referenced by protocols::simple_task_operations::RestrictToInterfaceCreator::keyname(), and provide_xml_schema().

parse_tag()

void protocols::simple_task_operations::RestrictToInterface::parse_tag ( TagCOP  tag, DataMap &    )

overridevirtual

Used to parse an xml-like tag to load parameters and properties.

Reimplemented from core::pack::task::operation::TaskOperation.

References protocols::simple_task_operations::InterfaceTaskOperation::add_movable_chain(), protocols::simple_task_operations::InterfaceTaskOperation::add_movable_jump(), distance_, and include_all_water_.

provide_xml_schema()

void protocols::simple_task_operations::RestrictToInterface::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

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

Referenced by protocols::simple_task_operations::RestrictToInterfaceCreator::provide_xml_schema().

rb_chain()

void protocols::simple_task_operations::RestrictToInterface::rb_chain

(

int

chain_in

)

References protocols::simple_task_operations::InterfaceTaskOperation::add_movable_chain().

rb_jump()

void protocols::simple_task_operations::RestrictToInterface::rb_jump

(

int

jump_in

)

References protocols::simple_task_operations::InterfaceTaskOperation::add_movable_jump().

symmetric_task()

void protocols::simple_task_operations::RestrictToInterface::symmetric_task	(	core::pose::Pose const &	pose,
		core::pack::task::PackerTask &	task
	)		const

References core::pose::Pose::conformation(), core::pack::task::PackerTask::nonconst_residue_task(), core::pack::task::ResidueLevelTask::prevent_repacking(), and core::pose::Pose::size().

Referenced by apply().

Member Data Documentation

distance_

core::Real protocols::simple_task_operations::RestrictToInterface::distance_

private

Referenced by apply(), distance(), and parse_tag().

include_all_water_

bool protocols::simple_task_operations::RestrictToInterface::include_all_water_

private

Referenced by apply(), and parse_tag().

loop_residues_

ObjexxFCL::FArray1D_bool protocols::simple_task_operations::RestrictToInterface::loop_residues_

private

Referenced by apply(), and RestrictToInterface().

loopy_interface_

bool protocols::simple_task_operations::RestrictToInterface::loopy_interface_

private

Referenced by apply().

---

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

• src/protocols/simple_task_operations/RestrictToInterface.hh
• src/protocols/simple_task_operations/RestrictToInterface.cc