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protocols::enzdes::LigBurialFilter Class Reference

#include <EnzFilters.hh>

Inheritance diagram for protocols::enzdes::LigBurialFilter:
Inheritance graph
[legend]

Public Types

typedef protocols::filters::Filter Filter
 
typedef
protocols::filters::FilterOP 
FilterOP
 

Public Member Functions

 LigBurialFilter ()
 
 LigBurialFilter (core::Size lig_id, core::Size const numneighbors, core::Real const distance_threshold)
 
bool apply (core::pose::Pose const &pose) const override
 Returns true if the given pose passes the filter, false otherwise. 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...
 
core::Size compute (core::pose::Pose const &pose) const
 
FilterOP clone () const override
 
FilterOP fresh_instance () const override
 
 ~LigBurialFilter () override
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
 
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 Does this filter indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)?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 lig_id_
 
core::Size neighbors_
 
core::Real distance_threshold_
 

Additional Inherited Members

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

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::enzdes::LigBurialFilter::LigBurialFilter ( )
inline
protocols::enzdes::LigBurialFilter::LigBurialFilter ( core::Size  lig_id,
core::Size const  numneighbors,
core::Real const  distance_threshold 
)
inline
protocols::enzdes::LigBurialFilter::~LigBurialFilter ( )
overridedefault

Member Function Documentation

bool protocols::enzdes::LigBurialFilter::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::ligand_docking::ga_ligand_dock::count_neighbors(), neighbors_, and protocols::enzdes::TR().

std::string protocols::enzdes::LigBurialFilter::class_name ( )
static
FilterOP protocols::enzdes::LigBurialFilter::clone ( ) const
inlineoverridevirtual
core::Size protocols::enzdes::LigBurialFilter::compute ( core::pose::Pose const &  pose) const
FilterOP protocols::enzdes::LigBurialFilter::fresh_instance ( ) const
inlineoverridevirtual
std::string protocols::enzdes::LigBurialFilter::name ( ) const
overridevirtual
void protocols::enzdes::LigBurialFilter::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &   
)
overridevirtual

: this filter basically works exactly as ResidueBurialFilter, but with the advantage that it has the capability to

: figure out resid of the ligand

Reimplemented from protocols::filters::Filter.

References distance_threshold_, lig_id_, neighbors_, and protocols::enzdes::TR().

void protocols::enzdes::LigBurialFilter::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd)
static
void protocols::enzdes::LigBurialFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual
core::Real protocols::enzdes::LigBurialFilter::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::ligand_docking::ga_ligand_dock::count_neighbors().

Member Data Documentation

core::Real protocols::enzdes::LigBurialFilter::distance_threshold_
private

Referenced by compute(), and parse_my_tag().

core::Size protocols::enzdes::LigBurialFilter::lig_id_
private

Referenced by compute(), and parse_my_tag().

core::Size protocols::enzdes::LigBurialFilter::neighbors_
private

Referenced by apply(), and parse_my_tag().


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