#include <RestrictToInterfaceVectorOperation.hh>

Inheritance diagram for protocols::task_operations::RestrictToInterfaceVectorOperation:

[legend]

Public Types
typedef simple_task_operations::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
	RestrictToInterfaceVectorOperation ()

	RestrictToInterfaceVectorOperation (core::Size const lower_chain_id, core::Size const upper_chain_id)
	this ctor will generate the calculator for you (may use defaults) if you want to use chain characters make the calculator that way and pass it to the constructor above More...

	RestrictToInterfaceVectorOperation (core::Size const lower_chain, core::Size const upper_chain, core::Real CB_dist_cutoff, core::Real nearby_atom_cutoff, core::Real vector_angle_cutoff, core::Real vector_dist_cutoff, bool include_all_water)

	RestrictToInterfaceVectorOperation (utility::vector1_int const movable_jumps)
	this ctor will generate the calculator for you (may use defaults) if you want to use chain characters make the calculator that way and pass it to the constructor above More...

	RestrictToInterfaceVectorOperation (utility::vector1_int const movable_jumps, core::Real CB_dist_cutoff, core::Real nearby_atom_cutoff, core::Real vector_angle_cutoff, core::Real vector_dist_cutoff, bool include_all_water)

	~RestrictToInterfaceVectorOperation () override

TaskOperationOP	clone () const override

void	apply (core::pose::Pose const &, core::pack::task::PackerTask &) const override

void	upper_chain (core::Size upper_chain)

void	lower_chain (core::Size lower_chain)

void	upper_chain (utility::vector1< core::Size > upper_chain)

void	lower_chain (utility::vector1< core::Size > lower_chain)

void	CB_dist_cutoff (core::Real CB_dist_cutoff)
	Commenting out to fix PyRosetta build void jump_num( int jump_num);. More...

void	nearby_atom_cutoff (core::Real nearby_atom_cutoff)

void	vector_angle_cutoff (core::Real vector_angle_cutoff)

void	vector_dist_cutoff (core::Real vector_dist_cutoff)

void	include_all_water (bool include_all_water)

void	parse_tag (TagCOP tag, DataMap &) override
	parse_tag function for rosetta scripts 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
utility::vector1< core::Size >	lower_chains_
	private data used to pass to the definition function More...

utility::vector1< core::Size >	upper_chains_

bool	jump_active_

core::Real	CB_dist_cutoff_

core::Real	nearby_atom_cutoff_

core::Real	vector_angle_cutoff_

core::Real	vector_dist_cutoff_

bool	include_all_water_

Detailed Description

this class is a TaskOperation to prevent repacking of residues not near an interface.

Member Typedef Documentation

◆ parent

typedef simple_task_operations::InterfaceTaskOperation protocols::task_operations::RestrictToInterfaceVectorOperation::parent

Constructor & Destructor Documentation

◆ RestrictToInterfaceVectorOperation() [1/5]

protocols::task_operations::RestrictToInterfaceVectorOperation::RestrictToInterfaceVectorOperation ( )

, empty contructor for parser

◆ RestrictToInterfaceVectorOperation() [2/5]

protocols::task_operations::RestrictToInterfaceVectorOperation::RestrictToInterfaceVectorOperation	(	core::Size const	lower_chain_id,
		core::Size const	upper_chain_id
	)

this ctor will generate the calculator for you (may use defaults) if you want to use chain characters make the calculator that way and pass it to the constructor above

References lower_chain(), and upper_chain().

◆ RestrictToInterfaceVectorOperation() [3/5]

protocols::task_operations::RestrictToInterfaceVectorOperation::RestrictToInterfaceVectorOperation	(	core::Size const	lower_chain,
		core::Size const	upper_chain,
		core::Real	CB_dist_cutoff,
		core::Real	nearby_atom_cutoff,
		core::Real	vector_angle_cutoff,
		core::Real	vector_dist_cutoff,
		bool	include_all_water
	)

References lower_chain(), and upper_chain().

◆ RestrictToInterfaceVectorOperation() [4/5]

protocols::task_operations::RestrictToInterfaceVectorOperation::RestrictToInterfaceVectorOperation ( utility::vector1_int const movable_jumps )

this ctor will generate the calculator for you (may use defaults) if you want to use chain characters make the calculator that way and pass it to the constructor above

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

◆ RestrictToInterfaceVectorOperation() [5/5]

protocols::task_operations::RestrictToInterfaceVectorOperation::RestrictToInterfaceVectorOperation	(	utility::vector1_int const	movable_jumps,
		core::Real	CB_dist_cutoff,
		core::Real	nearby_atom_cutoff,
		core::Real	vector_angle_cutoff,
		core::Real	vector_dist_cutoff,
		bool	include_all_water
	)

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

◆ ~RestrictToInterfaceVectorOperation()

protocols::task_operations::RestrictToInterfaceVectorOperation::~RestrictToInterfaceVectorOperation ( )

overridedefault

Member Function Documentation

◆ apply()

void protocols::task_operations::RestrictToInterfaceVectorOperation::apply	(	core::pose::Pose const &	pose,
		core::pack::task::PackerTask &	task
	)		const

overridevirtual

◆ CB_dist_cutoff()

void protocols::task_operations::RestrictToInterfaceVectorOperation::CB_dist_cutoff ( core::Real CB_dist_cutoff )

Commenting out to fix PyRosetta build void jump_num( int jump_num);.

References CB_dist_cutoff_.

Referenced by parse_tag().

◆ clone()

core::pack::task::operation::TaskOperationOP protocols::task_operations::RestrictToInterfaceVectorOperation::clone ( ) const

overridevirtual

be warned if you use clone that you'll not get a new interface calculator

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

◆ include_all_water()

void protocols::task_operations::RestrictToInterfaceVectorOperation::include_all_water ( bool include_all_water )

References include_all_water_.

Referenced by parse_tag().

◆ keyname()

static std::string protocols::task_operations::RestrictToInterfaceVectorOperation::keyname ( )

inlinestatic

Referenced by protocols::task_operations::RestrictToInterfaceVectorOperationCreator::keyname(), and provide_xml_schema().

◆ lower_chain() [1/2]

void protocols::task_operations::RestrictToInterfaceVectorOperation::lower_chain ( core::Size lower_chain )

References jump_active_, and lower_chains_.

Referenced by lower_chain(), parse_tag(), and RestrictToInterfaceVectorOperation().

◆ lower_chain() [2/2]

void protocols::task_operations::RestrictToInterfaceVectorOperation::lower_chain ( utility::vector1< core::Size > lower_chain )

References jump_active_, lower_chain(), and lower_chains_.

◆ nearby_atom_cutoff()

void protocols::task_operations::RestrictToInterfaceVectorOperation::nearby_atom_cutoff ( core::Real nearby_atom_cutoff )

References nearby_atom_cutoff_.

Referenced by parse_tag().

◆ parse_tag()

void protocols::task_operations::RestrictToInterfaceVectorOperation::parse_tag	(	TagCOP	tag,
		DataMap &
	)

overridevirtual

parse_tag function for rosetta scripts

parse_tag function for the parser, sets reasonable values for all options

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

References CB_dist_cutoff(), include_all_water(), jump_active_, lower_chain(), nearby_atom_cutoff(), protocols::simple_task_operations::InterfaceTaskOperation::set_movable_jumps(), protocols::task_operations::TR(), upper_chain(), vector_angle_cutoff(), and vector_dist_cutoff().

◆ provide_xml_schema()

void protocols::task_operations::RestrictToInterfaceVectorOperation::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

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

Referenced by protocols::task_operations::RestrictToInterfaceVectorOperationCreator::provide_xml_schema().

◆ upper_chain() [1/2]

void protocols::task_operations::RestrictToInterfaceVectorOperation::upper_chain ( core::Size upper_chain )

setters: only exist to pass info from the parser

References jump_active_, and upper_chains_.

Referenced by parse_tag(), RestrictToInterfaceVectorOperation(), and upper_chain().

◆ upper_chain() [2/2]

void protocols::task_operations::RestrictToInterfaceVectorOperation::upper_chain ( utility::vector1< core::Size > upper_chain )

References jump_active_, upper_chain(), and upper_chains_.

◆ vector_angle_cutoff()

void protocols::task_operations::RestrictToInterfaceVectorOperation::vector_angle_cutoff ( core::Real vector_angle_cutoff )

References vector_angle_cutoff_.

Referenced by parse_tag().

◆ vector_dist_cutoff()

void protocols::task_operations::RestrictToInterfaceVectorOperation::vector_dist_cutoff ( core::Real vector_dist_cutoff )

References vector_dist_cutoff_.

Referenced by parse_tag().

Member Data Documentation

◆ CB_dist_cutoff_

core::Real protocols::task_operations::RestrictToInterfaceVectorOperation::CB_dist_cutoff_

private

Referenced by apply(), and CB_dist_cutoff().

◆ include_all_water_

bool protocols::task_operations::RestrictToInterfaceVectorOperation::include_all_water_

private

Referenced by apply(), and include_all_water().

◆ jump_active_

bool protocols::task_operations::RestrictToInterfaceVectorOperation::jump_active_

private

Referenced by apply(), lower_chain(), parse_tag(), and upper_chain().

◆ lower_chains_

utility::vector1<core::Size> protocols::task_operations::RestrictToInterfaceVectorOperation::lower_chains_

private

private data used to pass to the definition function

Referenced by apply(), and lower_chain().

◆ nearby_atom_cutoff_

core::Real protocols::task_operations::RestrictToInterfaceVectorOperation::nearby_atom_cutoff_

private

Referenced by apply(), and nearby_atom_cutoff().

◆ upper_chains_

utility::vector1<core::Size> protocols::task_operations::RestrictToInterfaceVectorOperation::upper_chains_

private

Referenced by apply(), and upper_chain().

◆ vector_angle_cutoff_

core::Real protocols::task_operations::RestrictToInterfaceVectorOperation::vector_angle_cutoff_

private

Referenced by apply(), and vector_angle_cutoff().

◆ vector_dist_cutoff_

core::Real protocols::task_operations::RestrictToInterfaceVectorOperation::vector_dist_cutoff_

private

Referenced by apply(), and vector_dist_cutoff().

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

src/protocols/task_operations/RestrictToInterfaceVectorOperation.hh
src/protocols/task_operations/RestrictToInterfaceVectorOperation.cc

Public Types

Public Member Functions

Static Public Member Functions

Private Attributes

Detailed Description

Member Typedef Documentation

◆ parent

Constructor & Destructor Documentation

◆ RestrictToInterfaceVectorOperation() [1/5]

◆ RestrictToInterfaceVectorOperation() [2/5]

◆ RestrictToInterfaceVectorOperation() [3/5]

◆ RestrictToInterfaceVectorOperation() [4/5]

◆ RestrictToInterfaceVectorOperation() [5/5]

◆ ~RestrictToInterfaceVectorOperation()

Member Function Documentation

◆ apply()

◆ CB_dist_cutoff()

◆ clone()

◆ include_all_water()

◆ keyname()

◆ lower_chain() [1/2]

◆ lower_chain() [2/2]

◆ nearby_atom_cutoff()

◆ parse_tag()

◆ provide_xml_schema()

◆ upper_chain() [1/2]

◆ upper_chain() [2/2]

◆ vector_angle_cutoff()

◆ vector_dist_cutoff()

Member Data Documentation

◆ CB_dist_cutoff_

◆ include_all_water_

◆ jump_active_

◆ lower_chains_

◆ nearby_atom_cutoff_

◆ upper_chains_

◆ vector_angle_cutoff_

◆ vector_dist_cutoff_