protocols::enzdes::EnzScoreFilter Class Reference

#include <EnzFilters.hh>

Inheritance diagram for protocols::enzdes::EnzScoreFilter:

Public Types
typedef protocols::filters::Filter	Filter
typedef protocols::filters::FilterOP	FilterOP

Public Member Functions
	EnzScoreFilter ()
	EnzScoreFilter (std::string const &resnum, std::string const &cstid, core::scoring::ScoreFunctionOP scorefxn, core::scoring::ScoreType const score_type, core::Real const threshold, bool const whole_pose, bool const is_cstE)
	EnzScoreFilter (EnzScoreFilter const &init)
bool	apply (core::pose::Pose const &pose) const override
	Returns true if the given pose passes the filter, false otherwise. More...
FilterOP	clone () const override
FilterOP	fresh_instance () const override
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...
core::Real	compute (core::pose::Pose const &pose) const
	~EnzScoreFilter () 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...
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)
static std::string	default_value_for_resnum ()
static std::string	default_value_for_cstid ()
static std::string	default_value_for_score_type ()
static core::Real	default_value_for_threshold ()
static bool	default_value_for_whole_pose ()
static bool	default_value_for_is_cstE ()

Private Attributes
std::string	resnum_ = default_value_for_resnum()
std::string	cstid_ = default_value_for_cstid()
core::scoring::ScoreFunctionOP	scorefxn_
core::scoring::ScoreType	score_type_ = core::scoring::score_type_from_name( default_value_for_score_type() )
core::Real	threshold_ = default_value_for_threshold()
bool	whole_pose_ = default_value_for_whole_pose()
bool	is_cstE_ = default_value_for_is_cstE()

Additional Inherited Members
Protected Attributes inherited from protocols::filters::Filter
std::string	scorename_

Member Typedef Documentation

Filter

typedef protocols::filters::Filter protocols::enzdes::EnzScoreFilter::Filter

FilterOP

typedef protocols::filters::FilterOP protocols::enzdes::EnzScoreFilter::FilterOP

Constructor & Destructor Documentation

EnzScoreFilter() [1/3]

protocols::enzdes::EnzScoreFilter::EnzScoreFilter ( )

inline

EnzScoreFilter() [2/3]

protocols::enzdes::EnzScoreFilter::EnzScoreFilter	(	std::string const &	resnum,
		std::string const &	cstid,
		core::scoring::ScoreFunctionOP	scorefxn,
		core::scoring::ScoreType const	score_type,
		core::Real const	threshold,
		bool const	whole_pose,
		bool const	is_cstE
	)

References score_type_, scorefxn_, and core::scoring::total_score.

EnzScoreFilter() [3/3]

protocols::enzdes::EnzScoreFilter::EnzScoreFilter

(

EnzScoreFilter const &

init

)

References core::init::init(), and scorefxn_.

~EnzScoreFilter()

protocols::enzdes::EnzScoreFilter::~EnzScoreFilter ( )

overridedefault

Member Function Documentation

apply()

bool protocols::enzdes::EnzScoreFilter::apply ( core::pose::Pose const &  pose ) const

overridevirtual

Returns true if the given pose passes the filter, false otherwise.

Implements protocols::filters::Filter.

References compute(), protocols::buns::energy, threshold_, and protocols::enzdes::TR().

class_name()

std::string protocols::enzdes::EnzScoreFilter::class_name ( )

static

Referenced by protocols::enzdes::EnzScoreFilterCreator::keyname().

clone()

FilterOP protocols::enzdes::EnzScoreFilter::clone ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

compute()

core::Real protocols::enzdes::EnzScoreFilter::compute

(

core::pose::Pose const &

pose

)

const

References protocols::enzdes::LigInterfaceEnergyFilter::constraint_energy(), core::pose::Pose::constraint_set(), cstid_, protocols::enzdes::enzutil::enable_constraint_scoreterms(), protocols::ligand_docking::LigandBaseProtocol::get_ligand_id(), protocols::enzdes::enzutil::get_resnum_from_cstid(), is_cstE_, core::pose::parse_resnum(), resnum_, protocols::filters::Filter::score(), score_type_, scorefxn_, core::scoring::total_score, protocols::enzdes::TR(), and whole_pose_.

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

default_value_for_cstid()

static std::string protocols::enzdes::EnzScoreFilter::default_value_for_cstid ( )

inlinestatic

Referenced by parse_my_tag().

default_value_for_is_cstE()

static bool protocols::enzdes::EnzScoreFilter::default_value_for_is_cstE ( )

inlinestatic

Referenced by parse_my_tag().

default_value_for_resnum()

static std::string protocols::enzdes::EnzScoreFilter::default_value_for_resnum ( )

inlinestatic

default_value_for_score_type()

static std::string protocols::enzdes::EnzScoreFilter::default_value_for_score_type ( )

inlinestatic

Referenced by parse_my_tag().

default_value_for_threshold()

static core::Real protocols::enzdes::EnzScoreFilter::default_value_for_threshold ( )

inlinestatic

Referenced by parse_my_tag().

default_value_for_whole_pose()

static bool protocols::enzdes::EnzScoreFilter::default_value_for_whole_pose ( )

inlinestatic

Referenced by parse_my_tag().

fresh_instance()

FilterOP protocols::enzdes::EnzScoreFilter::fresh_instance ( ) const

inlineoverridevirtual

Implements protocols::filters::Filter.

name()

std::string protocols::enzdes::EnzScoreFilter::name ( ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

References protocols::enzdes::DiffAtomSasaFilter::class_name().

parse_my_tag()

void protocols::enzdes::EnzScoreFilter::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 core::scoring::atom_pair_constraint, cstid_, default_value_for_cstid(), default_value_for_is_cstE(), default_value_for_score_type(), default_value_for_threshold(), default_value_for_whole_pose(), core::pose::get_resnum_string(), core::scoring::get_score_function_name(), is_cstE_, core::scoring::parse_score_function(), resnum_, score_type_, core::scoring::score_type_from_name(), scorefxn_, threshold_, protocols::enzdes::TR(), and whole_pose_.

provide_xml_schema()

void protocols::enzdes::EnzScoreFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

References core::pose::attributes_for_get_resnum_string(), core::scoring::attributes_for_parse_score_function(), protocols::enzdes::DiffAtomSasaFilter::class_name(), core::id::to_string(), and protocols::filters::xsd_type_definition_w_attributes().

Referenced by protocols::enzdes::EnzScoreFilterCreator::provide_xml_schema().

report()

void protocols::enzdes::EnzScoreFilter::report ( std::ostream &  out, core::pose::Pose const &  pose  ) const

overridevirtual

Reimplemented from protocols::filters::Filter.

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

report_sm()

core::Real protocols::enzdes::EnzScoreFilter::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().

Member Data Documentation

cstid_

std::string protocols::enzdes::EnzScoreFilter::cstid_ = default_value_for_cstid()

private

Referenced by compute(), and parse_my_tag().

is_cstE_

bool protocols::enzdes::EnzScoreFilter::is_cstE_ = default_value_for_is_cstE()

private

Referenced by compute(), and parse_my_tag().

resnum_

std::string protocols::enzdes::EnzScoreFilter::resnum_ = default_value_for_resnum()

private

Referenced by compute(), and parse_my_tag().

score_type_

core::scoring::ScoreType protocols::enzdes::EnzScoreFilter::score_type_ = core::scoring::score_type_from_name( default_value_for_score_type() )

private

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

scorefxn_

core::scoring::ScoreFunctionOP protocols::enzdes::EnzScoreFilter::scorefxn_

private

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

threshold_

core::Real protocols::enzdes::EnzScoreFilter::threshold_ = default_value_for_threshold()

private

Referenced by apply(), and parse_my_tag().

whole_pose_

bool protocols::enzdes::EnzScoreFilter::whole_pose_ = default_value_for_whole_pose()

private

Referenced by compute(), and parse_my_tag().

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

• src/protocols/enzdes/EnzFilters.hh
• src/protocols/enzdes/EnzFilters.cc