Rosetta  2020.37
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Types | Public Member Functions | Static Public Member Functions | Private Types | Private Attributes | List of all members
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:
Inheritance graph
[legend]

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 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 Does this task_operation indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)?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 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< Sizedisallowed_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

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


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