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protocols::task_operations::RestrictToInterfaceVectorOperation Class Reference

#include <RestrictToInterfaceVectorOperation.hh>

Inheritance diagram for protocols::task_operations::RestrictToInterfaceVectorOperation:
Inheritance graph
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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 bool task_operation_provides_citation_info () const
 Does this task operation provide information about how to cite it? More...
 
virtual utility::vector1
< basic::citation_manager::CitationCollectionCOP > 
provide_citation_info () const
 Provide the citation. More...
 
virtual bool task_operation_is_unpublished () const
 Does this task_operation indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More...
 
virtual utility::vector1
< basic::citation_manager::UnpublishedModuleInfoCOP > 
provide_authorship_info_for_unpublished () const
 Provide a list of authors and their e-mail addresses, as strings. 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::Sizelower_chains_
 private data used to pass to the definition function More...
 
utility::vector1< core::Sizeupper_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

Constructor & Destructor Documentation

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

, empty contructor for parser

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().

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().

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::set_movable_jumps().

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

Member Function Documentation

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

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.

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

References include_all_water_.

Referenced by parse_tag().

static std::string protocols::task_operations::RestrictToInterfaceVectorOperation::keyname ( )
inlinestatic
void protocols::task_operations::RestrictToInterfaceVectorOperation::lower_chain ( core::Size  lower_chain)
void protocols::task_operations::RestrictToInterfaceVectorOperation::lower_chain ( utility::vector1< core::Size lower_chain)
void protocols::task_operations::RestrictToInterfaceVectorOperation::nearby_atom_cutoff ( core::Real  nearby_atom_cutoff)

References nearby_atom_cutoff_.

Referenced by parse_tag().

void protocols::task_operations::RestrictToInterfaceVectorOperation::parse_tag ( TagCOP  tag,
DataMap  
)
overridevirtual
void protocols::task_operations::RestrictToInterfaceVectorOperation::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
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().

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

References vector_angle_cutoff_.

Referenced by parse_tag().

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

References vector_dist_cutoff_.

Referenced by parse_tag().

Member Data Documentation

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

Referenced by apply(), and CB_dist_cutoff().

bool protocols::task_operations::RestrictToInterfaceVectorOperation::include_all_water_
private

Referenced by apply(), and include_all_water().

bool protocols::task_operations::RestrictToInterfaceVectorOperation::jump_active_
private
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().

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

Referenced by apply(), and nearby_atom_cutoff().

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

Referenced by apply(), and upper_chain().

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

Referenced by apply(), and vector_angle_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: