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

#include <ResidueIEFilter.hh>

Inheritance diagram for protocols::simple_filters::ResidueIEFilter:
Inheritance graph
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Public Member Functions

 ResidueIEFilter ()
 
 ResidueIEFilter (std::string const &resnums, std::string const &restype, core::scoring::ScoreFunctionCOP scorefxn, core::scoring::ScoreType const score_type=core::scoring::total_score, core::Real const threshold=0.0, bool const whole_pose=false, bool const whole_interface=false, core::Size const rb_jump=1, core::Real const interface_distance_cutoff=8.0, core::Real max_penalty=1000.0, core::Real penalty_factor=1.0, bool const report_energy=false)
 
 ResidueIEFilter (ResidueIEFilter const &init)
 
bool apply (core::pose::Pose const &pose) const override
 Returns true if the given pose passes the filter, false otherwise. More...
 
filters::FilterOP clone () const override
 
filters::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
 
 ~ResidueIEFilter () 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 const & resnums () const
 
core::scoring::ScoreFunctionOP scorefxn () const
 
core::scoring::ScoreType score_type () const
 
core::Real threshold () const
 
void resnums (std::string const &resnums_str)
 
void scorefxn (core::scoring::ScoreFunctionOP scorefxn)
 
void score_type (core::scoring::ScoreType score_type)
 
void threshold (core::Real const th)
 
std::string name () const override
 
- Public Member Functions inherited from protocols::filters::Filter
 Filter ()
 
 Filter (std::string const &)
 
 Filter (Filter 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 bool filter_provides_citation_info () const
 Does this filter 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 filter_is_unpublished () const
 Does this filter 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 class_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 

Private Member Functions

std::set< core::Sizecompute_resnums (core::pose::Pose const &pose) const
 
core::Real penalty_from_score (core::Real const res_intE) const
 

Private Attributes

std::string resnum_str_
 
std::string restype_
 
core::scoring::ScoreFunctionOP scorefxn_
 
core::scoring::ScoreType score_type_
 
core::Real threshold_
 
bool whole_pose_
 
bool whole_interface_
 
core::Size rb_jump_
 
core::Real interface_distance_cutoff_
 
core::Real max_penalty_
 
core::Real penalty_factor_
 
bool report_energy_
 
bool use_resE_
 
core::select::residue_selector::ResidueSelectorCOP selector_
 

Additional Inherited Members

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

Constructor & Destructor Documentation

protocols::simple_filters::ResidueIEFilter::ResidueIEFilter ( )
protocols::simple_filters::ResidueIEFilter::ResidueIEFilter ( std::string const &  resnums,
std::string const &  restype,
core::scoring::ScoreFunctionCOP  scorefxn,
core::scoring::ScoreType const  score_type = core::scoring::total_score,
core::Real const  threshold = 0.0,
bool const  whole_pose = false,
bool const  whole_interface = false,
core::Size const  rb_jump = 1,
core::Real const  interface_distance_cutoff = 8.0,
core::Real  max_penalty = 1000.0,
core::Real  penalty_factor = 1.0,
bool const  report_energy = false 
)
protocols::simple_filters::ResidueIEFilter::ResidueIEFilter ( ResidueIEFilter const &  init)

References scorefxn_.

protocols::simple_filters::ResidueIEFilter::~ResidueIEFilter ( )
overridedefault

Member Function Documentation

bool protocols::simple_filters::ResidueIEFilter::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(), and max_penalty_.

std::string protocols::simple_filters::ResidueIEFilter::class_name ( )
static
filters::FilterOP protocols::simple_filters::ResidueIEFilter::clone ( ) const
inlineoverridevirtual
core::Real protocols::simple_filters::ResidueIEFilter::compute ( core::pose::Pose const &  pose) const
std::set< core::Size > protocols::simple_filters::ResidueIEFilter::compute_resnums ( core::pose::Pose const &  pose) const
private
filters::FilterOP protocols::simple_filters::ResidueIEFilter::fresh_instance ( ) const
inlineoverridevirtual
std::string protocols::simple_filters::ResidueIEFilter::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_filters::ResidueIEFilter::parse_my_tag ( utility::tag::TagCOP  ,
basic::datacache::DataMap &   
)
overridevirtual
core::Real protocols::simple_filters::ResidueIEFilter::penalty_from_score ( core::Real const  res_intE) const
private

References report_energy_, and threshold_.

Referenced by compute().

void protocols::simple_filters::ResidueIEFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::simple_filters::ResidueIEFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References compute(), and restype_.

core::Real protocols::simple_filters::ResidueIEFilter::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().

std::string const & protocols::simple_filters::ResidueIEFilter::resnums ( ) const

References resnum_str_.

Referenced by compute(), and compute_resnums().

void protocols::simple_filters::ResidueIEFilter::resnums ( std::string const &  resnums_str)

References resnum_str_.

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

References score_type_.

Referenced by score_type().

void protocols::simple_filters::ResidueIEFilter::score_type ( core::scoring::ScoreType  score_type)

References score_type(), and score_type_.

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

References scorefxn_.

Referenced by scorefxn().

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

References scorefxn(), and scorefxn_.

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

References threshold_.

void protocols::simple_filters::ResidueIEFilter::threshold ( core::Real const  th)

References threshold_.

Member Data Documentation

core::Real protocols::simple_filters::ResidueIEFilter::interface_distance_cutoff_
private

Referenced by compute_resnums(), and parse_my_tag().

core::Real protocols::simple_filters::ResidueIEFilter::max_penalty_
private

Referenced by apply(), and parse_my_tag().

core::Real protocols::simple_filters::ResidueIEFilter::penalty_factor_
private

Referenced by compute(), and parse_my_tag().

core::Size protocols::simple_filters::ResidueIEFilter::rb_jump_
private

Referenced by compute_resnums(), and parse_my_tag().

bool protocols::simple_filters::ResidueIEFilter::report_energy_
private

Referenced by parse_my_tag(), and penalty_from_score().

std::string protocols::simple_filters::ResidueIEFilter::resnum_str_
private
std::string protocols::simple_filters::ResidueIEFilter::restype_
private
core::scoring::ScoreType protocols::simple_filters::ResidueIEFilter::score_type_
private
core::scoring::ScoreFunctionOP protocols::simple_filters::ResidueIEFilter::scorefxn_
private
core::select::residue_selector::ResidueSelectorCOP protocols::simple_filters::ResidueIEFilter::selector_
private

Referenced by compute_resnums(), and parse_my_tag().

core::Real protocols::simple_filters::ResidueIEFilter::threshold_
private
bool protocols::simple_filters::ResidueIEFilter::use_resE_
private
bool protocols::simple_filters::ResidueIEFilter::whole_interface_
private

Referenced by compute_resnums(), and parse_my_tag().

bool protocols::simple_filters::ResidueIEFilter::whole_pose_
private

Referenced by compute_resnums(), and parse_my_tag().


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