Rosetta
Public Member Functions | Static Public Member Functions | Private Types | Private Attributes | List of all members
protocols::simple_filters::TaskAwareScoreTypeFilter Class Reference

#include <TaskAwareScoreTypeFilter.hh>

Inheritance diagram for protocols::simple_filters::TaskAwareScoreTypeFilter:
Inheritance graph
[legend]

Public Member Functions

 TaskAwareScoreTypeFilter ()
 default ctor More...
 
bool apply (core::pose::Pose const &pose) const override
 Constructor with a single target residue. More...
 
void report (std::ostream &out, core::pose::Pose const &pose) const override
 
core::Real report_sm (core::pose::Pose const &pose) const override
 used to report filter internals through a score or silent file More...
 
protocols::filters::FilterOP clone () const override
 
protocols::filters::FilterOP fresh_instance () const override
 
core::Real compute (core::pose::Pose const &pose, bool const &write) const
 
 ~TaskAwareScoreTypeFilter () override
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
 Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing. More...
 
core::pack::task::TaskFactoryOP task_factory () const
 
core::scoring::ScoreFunctionOP scorefxn () const
 
core::scoring::ScoreType score_type () const
 
core::Real threshold () const
 
bool bb_bb () const
 
void task_factory (core::pack::task::TaskFactoryOP task_factory)
 
void scorefxn (core::scoring::ScoreFunctionOP scorefxn)
 
void score_type (core::scoring::ScoreType const st)
 
std::string score_type_name () const
 
void score_type_name (std::string const &name)
 
void threshold (core::Real const thresh)
 
void bb_bb (bool const bb)
 
bool unbound () const
 
void unbound (bool const unbound)
 
std::string sym_dof_names () const
 
void sym_dof_names (std::string const &sym_dofs)
 
core::Size jump () const
 
void jump (core::Size const jump)
 
std::string mode () const
 
void mode (std::string const &mode)
 
void write2pdb (bool const write)
 
bool write2pdb () const
 
void write_to_pdb (core::pose::Pose const &pose, core::Size const residue, std::string const &residue_name, core::Real const score) const
 
bool individual_hbonds () const
 
void individual_hbonds (bool const individual_hbonds)
 
std::string name () const override
 
- Public Member Functions inherited from protocols::filters::Filter
 Filter ()
 
 Filter (std::string const &)
 
 ~Filter () override
 
virtual std::string get_type () const
 
std::string get_user_defined_name () const
 
void set_user_defined_name (std::string const &name)
 
virtual void clear ()
 used to clear internal variables if needed. Using fresh_instance is preferred since it's a pure virtual More...
 
virtual core::Real score (core::pose::Pose &pose)
 
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 std::string class_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 

Private Types

typedef protocols::filters::Filter parent
 

Private Attributes

core::pack::task::TaskFactoryOP task_factory_
 
core::scoring::ScoreFunctionOP scorefxn_
 
core::scoring::ScoreType score_type_
 
std::string score_type_name_
 
core::Real threshold_
 
bool bb_bb_
 
bool unbound_
 
bool write2pdb_
 
bool individual_hbonds_
 
std::string sym_dof_names_
 
core::Size jump_
 
std::string mode_
 

Additional Inherited Members

- Protected Attributes inherited from protocols::filters::Filter
std::string scorename_
 

Member Typedef Documentation

◆ parent

typedef protocols::filters::Filter protocols::simple_filters::TaskAwareScoreTypeFilter::parent
private

Constructor & Destructor Documentation

◆ TaskAwareScoreTypeFilter()

protocols::simple_filters::TaskAwareScoreTypeFilter::TaskAwareScoreTypeFilter ( )

default ctor

◆ ~TaskAwareScoreTypeFilter()

protocols::simple_filters::TaskAwareScoreTypeFilter::~TaskAwareScoreTypeFilter ( )
overridedefault

Member Function Documentation

◆ apply()

bool protocols::simple_filters::TaskAwareScoreTypeFilter::apply ( core::pose::Pose const &  pose) const
overridevirtual

Constructor with a single target residue.

Implements protocols::filters::Filter.

References compute(), mode(), protocols::filters::Filter::score(), threshold_, and protocols::simple_filters::TR().

◆ bb_bb() [1/2]

bool protocols::simple_filters::TaskAwareScoreTypeFilter::bb_bb ( ) const

References bb_bb_.

Referenced by parse_my_tag().

◆ bb_bb() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::bb_bb ( bool const  bb)

References bb_bb_.

◆ class_name()

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::class_name ( )
static

Referenced by protocols::simple_filters::TaskAwareScoreTypeFilterCreator::keyname(), name(), and provide_xml_schema().

◆ clone()

protocols::filters::FilterOP protocols::simple_filters::TaskAwareScoreTypeFilter::clone ( ) const
overridevirtual

Implements protocols::filters::Filter.

◆ compute()

core::Real protocols::simple_filters::TaskAwareScoreTypeFilter::compute ( core::pose::Pose const &  pose,
bool const &  write 
) const

References core::scoring::hbonds::HBond::acc_atm_is_protein_backbone(), core::scoring::hbonds::HBond::acc_res(), core::scoring::hbonds::HBondOptions::decompose_bb_hb_into_pair_energies(), core::scoring::hbonds::HBond::don_hatm_is_protein_backbone(), core::scoring::hbonds::HBond::don_res(), core::pose::Pose::energies(), core::scoring::hbonds::HBond::energy(), core::scoring::hbonds::fill_hbond_set(), core::pose::symmetry::get_sym_aware_jump_num(), protocols::filters::Filter::get_user_defined_name(), core::scoring::hbonds::HBondSet::hbond(), core::scoring::methods::EnergyMethodOptions::hbond_options(), individual_hbonds_, core::pose::symmetry::is_symmetric(), jump(), mode(), core::conformation::Residue::name3(), core::scoring::hbonds::HBondSet::nhbonds(), core::pose::Pose::pdb_info(), core::pose::Pose::residue(), core::scoring::Energies::residue_total_energies(), core::scoring::Energies::residue_total_energy(), score_type(), score_type_name(), scorefxn(), core::pose::Pose::size(), core::pose::symmetry::sym_dof_jump_num(), sym_dof_names(), core::pose::symmetry::symmetry_info(), task_factory(), threshold(), protocols::simple_filters::TR(), protocols::toolbox::rigid_body::translate(), unbound(), and write_to_pdb().

Referenced by apply(), report(), and report_sm().

◆ fresh_instance()

protocols::filters::FilterOP protocols::simple_filters::TaskAwareScoreTypeFilter::fresh_instance ( ) const
overridevirtual

Implements protocols::filters::Filter.

◆ individual_hbonds() [1/2]

bool protocols::simple_filters::TaskAwareScoreTypeFilter::individual_hbonds ( ) const

References individual_hbonds_.

Referenced by individual_hbonds(), and parse_my_tag().

◆ individual_hbonds() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::individual_hbonds ( bool const  individual_hbonds)

References individual_hbonds(), and individual_hbonds_.

◆ jump() [1/2]

core::Size protocols::simple_filters::TaskAwareScoreTypeFilter::jump ( ) const

References jump_.

Referenced by compute(), jump(), and parse_my_tag().

◆ jump() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::jump ( core::Size const  jump)

References jump(), and jump_.

◆ mode() [1/2]

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::mode ( ) const

References mode_.

Referenced by apply(), compute(), mode(), and parse_my_tag().

◆ mode() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::mode ( std::string const &  mode)

References mode(), and mode_.

◆ name()

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

Referenced by score_type_name(), and write_to_pdb().

◆ parse_my_tag()

void protocols::simple_filters::TaskAwareScoreTypeFilter::parse_my_tag ( utility::tag::TagCOP  ,
basic::datacache::DataMap &   
)
overridevirtual

Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing.

Reimplemented from protocols::filters::Filter.

References bb_bb(), individual_hbonds(), jump(), mode(), core::scoring::parse_score_function(), core::pack::task::parse_task_operations(), score_type(), core::scoring::score_type_from_name(), score_type_name(), scorefxn(), sym_dof_names(), task_factory(), threshold(), protocols::simple_filters::TR(), unbound(), and write2pdb().

◆ provide_xml_schema()

void protocols::simple_filters::TaskAwareScoreTypeFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static

References core::scoring::attributes_for_parse_score_function(), core::pack::task::attributes_for_parse_task_operations(), class_name(), and protocols::filters::xsd_type_definition_w_attributes().

Referenced by protocols::simple_filters::TaskAwareScoreTypeFilterCreator::provide_xml_schema().

◆ report()

void protocols::simple_filters::TaskAwareScoreTypeFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References compute(), core::conformation::membrane::out, and write2pdb_.

◆ report_sm()

core::Real protocols::simple_filters::TaskAwareScoreTypeFilter::report_sm ( core::pose::Pose const &  ) const
overridevirtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute(), and protocols::filters::Filter::score().

◆ score_type() [1/2]

core::scoring::ScoreType protocols::simple_filters::TaskAwareScoreTypeFilter::score_type ( ) const

References score_type_.

Referenced by compute(), and parse_my_tag().

◆ score_type() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::score_type ( core::scoring::ScoreType const  st)

References score_type_.

◆ score_type_name() [1/2]

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::score_type_name ( ) const

References score_type_name_.

Referenced by compute(), and parse_my_tag().

◆ score_type_name() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::score_type_name ( std::string const &  name)

References name(), and score_type_name_.

◆ scorefxn() [1/2]

core::scoring::ScoreFunctionOP protocols::simple_filters::TaskAwareScoreTypeFilter::scorefxn ( ) const

References scorefxn_.

Referenced by compute(), parse_my_tag(), and scorefxn().

◆ scorefxn() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::scorefxn ( core::scoring::ScoreFunctionOP  scorefxn)

References scorefxn(), and scorefxn_.

◆ sym_dof_names() [1/2]

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::sym_dof_names ( ) const

References sym_dof_names_.

Referenced by compute(), and parse_my_tag().

◆ sym_dof_names() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::sym_dof_names ( std::string const &  sym_dofs)

References sym_dof_names_.

◆ task_factory() [1/2]

core::pack::task::TaskFactoryOP protocols::simple_filters::TaskAwareScoreTypeFilter::task_factory ( ) const

References task_factory_.

Referenced by compute(), parse_my_tag(), and task_factory().

◆ task_factory() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::task_factory ( core::pack::task::TaskFactoryOP  task_factory)

References task_factory(), and task_factory_.

◆ threshold() [1/2]

core::Real protocols::simple_filters::TaskAwareScoreTypeFilter::threshold ( ) const

References threshold_.

Referenced by compute(), and parse_my_tag().

◆ threshold() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::threshold ( core::Real const  thresh)

References threshold_.

◆ unbound() [1/2]

bool protocols::simple_filters::TaskAwareScoreTypeFilter::unbound ( ) const

References unbound_.

Referenced by compute(), parse_my_tag(), and unbound().

◆ unbound() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::unbound ( bool const  unbound)

References unbound(), and unbound_.

◆ write2pdb() [1/2]

bool protocols::simple_filters::TaskAwareScoreTypeFilter::write2pdb ( ) const

References write2pdb_.

Referenced by parse_my_tag().

◆ write2pdb() [2/2]

void protocols::simple_filters::TaskAwareScoreTypeFilter::write2pdb ( bool const  write)

References write2pdb_.

◆ write_to_pdb()

void protocols::simple_filters::TaskAwareScoreTypeFilter::write_to_pdb ( core::pose::Pose const &  pose,
core::Size const  residue,
std::string const &  residue_name,
core::Real const  score 
) const

References protocols::jd2::add_string_to_current_job(), protocols::filters::Filter::get_user_defined_name(), name(), core::pose::Pose::pdb_info(), and protocols::filters::Filter::score().

Referenced by compute().

Member Data Documentation

◆ bb_bb_

bool protocols::simple_filters::TaskAwareScoreTypeFilter::bb_bb_
private

Referenced by bb_bb().

◆ individual_hbonds_

bool protocols::simple_filters::TaskAwareScoreTypeFilter::individual_hbonds_
private

Referenced by compute(), and individual_hbonds().

◆ jump_

core::Size protocols::simple_filters::TaskAwareScoreTypeFilter::jump_
private

Referenced by jump().

◆ mode_

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::mode_
private

Referenced by mode().

◆ score_type_

core::scoring::ScoreType protocols::simple_filters::TaskAwareScoreTypeFilter::score_type_
private

Referenced by score_type().

◆ score_type_name_

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::score_type_name_
private

Referenced by score_type_name().

◆ scorefxn_

core::scoring::ScoreFunctionOP protocols::simple_filters::TaskAwareScoreTypeFilter::scorefxn_
private

Referenced by scorefxn().

◆ sym_dof_names_

std::string protocols::simple_filters::TaskAwareScoreTypeFilter::sym_dof_names_
private

Referenced by sym_dof_names().

◆ task_factory_

core::pack::task::TaskFactoryOP protocols::simple_filters::TaskAwareScoreTypeFilter::task_factory_
private

Referenced by task_factory().

◆ threshold_

core::Real protocols::simple_filters::TaskAwareScoreTypeFilter::threshold_
private

Referenced by apply(), and threshold().

◆ unbound_

bool protocols::simple_filters::TaskAwareScoreTypeFilter::unbound_
private

Referenced by unbound().

◆ write2pdb_

bool protocols::simple_filters::TaskAwareScoreTypeFilter::write2pdb_
private

Referenced by report(), and write2pdb().

The documentation for this class was generated from the following files:
Generated on Mon Sep 4 2023 11:02:37 for Rosetta by doxygen 1.9.1