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protocols::simple_filters::EnergyPerResidueFilter Class Reference

#include <EnergyPerResidueFilter.hh>

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

 EnergyPerResidueFilter ()
 
 EnergyPerResidueFilter (core::Size const resnum, core::scoring::ScoreFunctionCOP scorefxn, core::scoring::ScoreType const score_type, core::Real const threshold, bool const whole_interface=false, bool const whole_protein=false, bool const select_resnums=false, bool const select_around_resnums=false, core::Real aournd_shell=8.0, std::string string_resnums="", std::string string_around_resnums="", core::Size const rb_jump=1, core::Real const interface_distance_cutoff=8.0, bool const bb_bb=false)
 
 EnergyPerResidueFilter (EnergyPerResidueFilter const &init)
 
void apply_helper (std::string name, core::pose::Pose const &pose, utility::vector1< bool > &use_all_residues) const
 
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, core::Size const resid) const
 
core::Real compute (core::pose::Pose const &pose) const
 
 ~EnergyPerResidueFilter () 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::scoring::ScoreFunctionOP scorefxn () const
 
core::scoring::ScoreType score_type () const
 
core::Real threshold () const
 
bool bb_bb () const
 
void resnum (core::Size rn)
 
void resnum (std::string const &rn)
 
void scorefxn (core::scoring::ScoreFunctionOP scorefxn)
 
void score_type (core::scoring::ScoreType score_type)
 
void threshold (core::Real const th)
 
void bb_bb (bool const b_b)
 
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 Attributes

core::Size resnum_
 
std::string resnum_string_
 
core::scoring::ScoreFunctionOP scorefxn_
 
core::scoring::ScoreType score_type_
 
core::Real threshold_
 
bool whole_interface_
 
bool whole_protein_
 
bool select_resnums_
 
bool select_around_resnums_
 
std::string string_resnums_
 
std::string string_around_resnums_
 
core::Real around_shell_
 
core::Size rb_jump_
 
core::Real interface_distance_cutoff_
 
bool bb_bb_
 

Additional Inherited Members

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

Constructor & Destructor Documentation

protocols::simple_filters::EnergyPerResidueFilter::EnergyPerResidueFilter ( )
inline
protocols::simple_filters::EnergyPerResidueFilter::EnergyPerResidueFilter ( core::Size const  resnum,
core::scoring::ScoreFunctionCOP  scorefxn,
core::scoring::ScoreType const  score_type,
core::Real const  threshold,
bool const  whole_interface = false,
bool const  whole_protein = false,
bool const  select_resnums = false,
bool const  select_around_resnums = false,
core::Real  aournd_shell = 8.0,
std::string  string_resnums = "",
std::string  string_around_resnums = "",
core::Size const  rb_jump = 1,
core::Real const  interface_distance_cutoff = 8.0,
bool const  bb_bb = false 
)
protocols::simple_filters::EnergyPerResidueFilter::EnergyPerResidueFilter ( EnergyPerResidueFilter const &  init)

References scorefxn_.

protocols::simple_filters::EnergyPerResidueFilter::~EnergyPerResidueFilter ( )
overridedefault

Member Function Documentation

bool protocols::simple_filters::EnergyPerResidueFilter::apply ( core::pose::Pose const &  pose) const
overridevirtual
void protocols::simple_filters::EnergyPerResidueFilter::apply_helper ( std::string  name,
core::pose::Pose const &  pose,
utility::vector1< bool > &  use_all_residues 
) const
bool protocols::simple_filters::EnergyPerResidueFilter::bb_bb ( ) const

References bb_bb_.

void protocols::simple_filters::EnergyPerResidueFilter::bb_bb ( bool const  b_b)

References bb_bb_.

std::string protocols::simple_filters::EnergyPerResidueFilter::class_name ( )
static
filters::FilterOP protocols::simple_filters::EnergyPerResidueFilter::clone ( ) const
inlineoverridevirtual
core::Real protocols::simple_filters::EnergyPerResidueFilter::compute ( core::pose::Pose const &  pose,
core::Size const  resid 
) const
core::Real protocols::simple_filters::EnergyPerResidueFilter::compute ( core::pose::Pose const &  pose) const
filters::FilterOP protocols::simple_filters::EnergyPerResidueFilter::fresh_instance ( ) const
inlineoverridevirtual
std::string protocols::simple_filters::EnergyPerResidueFilter::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_filters::EnergyPerResidueFilter::parse_my_tag ( utility::tag::TagCOP  ,
basic::datacache::DataMap &   
)
overridevirtual
void protocols::simple_filters::EnergyPerResidueFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::simple_filters::EnergyPerResidueFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual
core::Real protocols::simple_filters::EnergyPerResidueFilter::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 apply_helper(), compute(), core::conformation::Residue::is_protein(), core::pose::Pose::residue(), and core::pose::Pose::size().

void protocols::simple_filters::EnergyPerResidueFilter::resnum ( core::Size  rn)

References resnum_.

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

void protocols::simple_filters::EnergyPerResidueFilter::resnum ( std::string const &  rn)

References resnum_string_.

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

References score_type_.

Referenced by score_type().

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

References score_type(), and score_type_.

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

References scorefxn_.

Referenced by scorefxn().

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

References scorefxn(), and scorefxn_.

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

References threshold_.

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

References threshold_.

Member Data Documentation

core::Real protocols::simple_filters::EnergyPerResidueFilter::around_shell_
private

Referenced by apply_helper(), and parse_my_tag().

bool protocols::simple_filters::EnergyPerResidueFilter::bb_bb_
private

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

core::Real protocols::simple_filters::EnergyPerResidueFilter::interface_distance_cutoff_
private

Referenced by apply_helper(), and parse_my_tag().

core::Size protocols::simple_filters::EnergyPerResidueFilter::rb_jump_
private

Referenced by apply_helper(), and parse_my_tag().

core::Size protocols::simple_filters::EnergyPerResidueFilter::resnum_
private
std::string protocols::simple_filters::EnergyPerResidueFilter::resnum_string_
private
core::scoring::ScoreType protocols::simple_filters::EnergyPerResidueFilter::score_type_
private
core::scoring::ScoreFunctionOP protocols::simple_filters::EnergyPerResidueFilter::scorefxn_
private
bool protocols::simple_filters::EnergyPerResidueFilter::select_around_resnums_
private

Referenced by apply_helper(), and parse_my_tag().

bool protocols::simple_filters::EnergyPerResidueFilter::select_resnums_
private

Referenced by apply_helper(), and parse_my_tag().

std::string protocols::simple_filters::EnergyPerResidueFilter::string_around_resnums_
private

Referenced by apply_helper(), and parse_my_tag().

std::string protocols::simple_filters::EnergyPerResidueFilter::string_resnums_
private

Referenced by apply_helper(), and parse_my_tag().

core::Real protocols::simple_filters::EnergyPerResidueFilter::threshold_
private

Referenced by apply(), parse_my_tag(), and threshold().

bool protocols::simple_filters::EnergyPerResidueFilter::whole_interface_
private

Referenced by apply_helper(), and parse_my_tag().

bool protocols::simple_filters::EnergyPerResidueFilter::whole_protein_
private

Referenced by parse_my_tag().


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