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protocols::simple_ddg::SSElementBisectddGFilter Class Reference

#include <SSElementBisectddGFilter.hh>

Inheritance diagram for protocols::simple_ddg::SSElementBisectddGFilter:
Inheritance graph
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Public Types

typedef protocols::filters::Filter Super
 
typedef protocols::filters::Filter Filter
 
typedef
protocols::filters::FilterOP 
FilterOP
 
typedef core::Real Real
 
typedef core::pose::Pose Pose
 
typedef std::string String
 
typedef utility::tag::TagCOP TagCOP
 
typedef basic::datacache::DataMap DataMap
 

Public Member Functions

 SSElementBisectddGFilter (core::scoring::ScoreFunctionOP scorefxn, Real threshold, bool report_avg, core::Size ignore_terminal_SS, bool only_n_term, bool only_c_term, bool skip_ss_element, bool report_sasa_instead, bool convert_charged_res_to_ala, protocols::moves::MoverOP relax_mover)
 
 SSElementBisectddGFilter ()
 
 SSElementBisectddGFilter (SSElementBisectddGFilter const &rval)
 
filters::FilterOP clone () const override
 
filters::FilterOP fresh_instance () const override
 
Real report_sm (const Pose &pose) const override
 used to report filter internals through a score or silent file More...
 
void report (std::ostream &out, const Pose &pose) const override
 
protocols::loops::Loops get_ss_elements (const Pose &pose) const
 get ss_elements More...
 
Real get_ddg_bisect_score (core::Size element, protocols::loops::Loops ssElements, const Pose &pose) const
 
Real compute (const Pose &orig_pose) const
 
bool apply (const Pose &pose) const override
 Returns true if the given pose passes the filter, false otherwise. More...
 
void parse_my_tag (TagCOP tag, basic::datacache::DataMap &data) override
 parse xml More...
 
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::scoring::ScoreFunctionOP scorefxn_
 
core::Size ignore_terminal_SS_
 
bool only_n_term_
 
bool only_c_term_
 
Real threshold_
 
bool report_avg_
 
bool skip_ss_element_
 
bool report_sasa_instead_
 
bool convert_charged_res_to_ala_
 
protocols::moves::MoverOP relax_mover_
 

Additional Inherited Members

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

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::simple_ddg::SSElementBisectddGFilter::SSElementBisectddGFilter ( core::scoring::ScoreFunctionOP  scorefxn,
Real  threshold,
bool  report_avg,
core::Size  ignore_terminal_SS,
bool  only_n_term,
bool  only_c_term,
bool  skip_ss_element,
bool  report_sasa_instead,
bool  convert_charged_res_to_ala,
protocols::moves::MoverOP  relax_mover 
)
protocols::simple_ddg::SSElementBisectddGFilter::SSElementBisectddGFilter ( )
protocols::simple_ddg::SSElementBisectddGFilter::SSElementBisectddGFilter ( SSElementBisectddGFilter const &  rval)

Member Function Documentation

bool protocols::simple_ddg::SSElementBisectddGFilter::apply ( const Pose pose) const
overridevirtual

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

Implements protocols::filters::Filter.

References compute(), threshold_, and tr().

std::string protocols::simple_ddg::SSElementBisectddGFilter::class_name ( )
static
filters::FilterOP protocols::simple_ddg::SSElementBisectddGFilter::clone ( ) const
inlineoverridevirtual
Real protocols::simple_ddg::SSElementBisectddGFilter::compute ( const Pose orig_pose) const
filters::FilterOP protocols::simple_ddg::SSElementBisectddGFilter::fresh_instance ( ) const
inlineoverridevirtual
Real protocols::simple_ddg::SSElementBisectddGFilter::get_ddg_bisect_score ( core::Size  element,
protocols::loops::Loops  ssElements,
const Pose pose 
) const
protocols::loops::Loops protocols::simple_ddg::SSElementBisectddGFilter::get_ss_elements ( const Pose pose) const
std::string protocols::simple_ddg::SSElementBisectddGFilter::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_ddg::SSElementBisectddGFilter::parse_my_tag ( TagCOP  tag,
basic::datacache::DataMap &  data 
)
overridevirtual
void protocols::simple_ddg::SSElementBisectddGFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::simple_ddg::SSElementBisectddGFilter::report ( std::ostream &  out,
const Pose pose 
) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References compute(), and report_avg_.

SSElementBisectddGFilter::Real protocols::simple_ddg::SSElementBisectddGFilter::report_sm ( const Pose ) const
overridevirtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute().

Member Data Documentation

bool protocols::simple_ddg::SSElementBisectddGFilter::convert_charged_res_to_ala_
private
core::Size protocols::simple_ddg::SSElementBisectddGFilter::ignore_terminal_SS_
private
bool protocols::simple_ddg::SSElementBisectddGFilter::only_c_term_
private
bool protocols::simple_ddg::SSElementBisectddGFilter::only_n_term_
private
protocols::moves::MoverOP protocols::simple_ddg::SSElementBisectddGFilter::relax_mover_
private
bool protocols::simple_ddg::SSElementBisectddGFilter::report_avg_
private
bool protocols::simple_ddg::SSElementBisectddGFilter::report_sasa_instead_
private
core::scoring::ScoreFunctionOP protocols::simple_ddg::SSElementBisectddGFilter::scorefxn_
private
bool protocols::simple_ddg::SSElementBisectddGFilter::skip_ss_element_
private
Real protocols::simple_ddg::SSElementBisectddGFilter::threshold_
private

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