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 Member Functions | Private Attributes | List of all members
core::pack::task::operation::DisallowIfNonnative Class Reference

DisallowIfNonnative allows you to define what residues are NOT allowed in packing unless that residue is present in the input. Behaves like RestrictAbsentCanonicalAAS and NOTAA except will allow a resitricted residue at a position if it is there to begin with at the time of Task creation. Will do all residues unless otherwise defined by selection syntax below. More...

#include <TaskOperations.hh>

Inheritance diagram for core::pack::task::operation::DisallowIfNonnative:
Inheritance graph
[legend]

Public Types

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

 DisallowIfNonnative ()
 
 DisallowIfNonnative (utility::vector1< bool > const &disallowed_aas)
 
 DisallowIfNonnative (utility::vector1< bool > const &disallowed_aas, utility::vector1< core::Size > const &res_selection)
 
 ~DisallowIfNonnative () override
 
TaskOperationOP clone () const override
 Create another task operation of the type matching the most-derived version of the class. More...
 
void apply (pose::Pose const &, PackerTask &) 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 clear ()
 
void disallow_aas (utility::vector1< bool > const &cannonical_disallowed)
 
void disallow_aas (std::string const &aa_string)
 
void restrict_to_residue (core::Size const &resid)
 
void restrict_to_residue (utility::vector1< core::Size > const &residues)
 
void parse_tag (TagCOP, DataMap &) override
 Used to parse an xml-like tag to load parameters and properties. More...
 
- 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 std::string keyname ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 

Private Member Functions

utility::vector1< boolinvert_vector (utility::vector1< bool > disallowed_aas)
 

Private Attributes

utility::vector1< core::Sizeresidue_selection_
 
utility::vector1< booldisallowed_aas_
 
utility::vector1< boolallowed_aas_
 

Detailed Description

DisallowIfNonnative allows you to define what residues are NOT allowed in packing unless that residue is present in the input. Behaves like RestrictAbsentCanonicalAAS and NOTAA except will allow a resitricted residue at a position if it is there to begin with at the time of Task creation. Will do all residues unless otherwise defined by selection syntax below.

Member Typedef Documentation

Constructor & Destructor Documentation

core::pack::task::operation::DisallowIfNonnative::DisallowIfNonnative ( )
core::pack::task::operation::DisallowIfNonnative::DisallowIfNonnative ( utility::vector1< bool > const &  disallowed_aas)
core::pack::task::operation::DisallowIfNonnative::DisallowIfNonnative ( utility::vector1< bool > const &  disallowed_aas,
utility::vector1< core::Size > const &  res_selection 
)
core::pack::task::operation::DisallowIfNonnative::~DisallowIfNonnative ( )
overridedefault

Member Function Documentation

void core::pack::task::operation::DisallowIfNonnative::apply ( pose::Pose const &  ,
PackerTask  
) const
overridevirtual
void core::pack::task::operation::DisallowIfNonnative::clear ( )
TaskOperationOP core::pack::task::operation::DisallowIfNonnative::clone ( ) const
overridevirtual

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

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

void core::pack::task::operation::DisallowIfNonnative::disallow_aas ( utility::vector1< bool > const &  cannonical_disallowed)
void core::pack::task::operation::DisallowIfNonnative::disallow_aas ( std::string const &  aa_string)
utility::vector1< bool > core::pack::task::operation::DisallowIfNonnative::invert_vector ( utility::vector1< bool disallowed_aas)
private

References disallowed_aas_.

Referenced by disallow_aas().

std::string core::pack::task::operation::DisallowIfNonnative::keyname ( )
static
void core::pack::task::operation::DisallowIfNonnative::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 disallow_aas(), and restrict_to_residue().

void core::pack::task::operation::DisallowIfNonnative::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void core::pack::task::operation::DisallowIfNonnative::restrict_to_residue ( core::Size const &  resid)

References residue_selection_.

Referenced by parse_tag().

void core::pack::task::operation::DisallowIfNonnative::restrict_to_residue ( utility::vector1< core::Size > const &  residues)

References residue_selection_.

Member Data Documentation

utility::vector1< bool > core::pack::task::operation::DisallowIfNonnative::allowed_aas_
private

Referenced by apply(), clear(), and disallow_aas().

utility::vector1< bool > core::pack::task::operation::DisallowIfNonnative::disallowed_aas_
private

Referenced by clear(), disallow_aas(), and invert_vector().

utility::vector1< core::Size > core::pack::task::operation::DisallowIfNonnative::residue_selection_
private

Referenced by apply(), clear(), and restrict_to_residue().


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