Public Types | Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::enzdes::LigBurialFilter Class Reference

#include <EnzFilters.hh>

Inheritance diagram for protocols::enzdes::LigBurialFilter:
Inheritance graph

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 () 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)

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

◆ Filter

◆ FilterOP

Constructor & Destructor Documentation

◆ LigBurialFilter() [1/2]

protocols::enzdes::LigBurialFilter::LigBurialFilter ( )

◆ LigBurialFilter() [2/2]

protocols::enzdes::LigBurialFilter::LigBurialFilter ( core::Size  lig_id,
core::Size const  numneighbors,
core::Real const  distance_threshold 

◆ ~LigBurialFilter()

protocols::enzdes::LigBurialFilter::~LigBurialFilter ( )

Member Function Documentation

◆ apply()

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

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().

◆ class_name()

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

◆ clone()

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

◆ compute()

core::Size protocols::enzdes::LigBurialFilter::compute ( core::pose::Pose const &  pose) const

◆ fresh_instance()

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

◆ name()

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

◆ parse_my_tag()

void protocols::enzdes::LigBurialFilter::parse_my_tag ( utility::tag::TagCOP  tag,

: 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().

◆ provide_xml_schema()

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

◆ report()

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

◆ report_sm()

core::Real protocols::enzdes::LigBurialFilter::report_sm ( core::pose::Pose const &  ) const

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

◆ distance_threshold_

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

Referenced by compute(), and parse_my_tag().

◆ lig_id_

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

Referenced by compute(), and parse_my_tag().

◆ neighbors_

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

Referenced by apply(), and parse_my_tag().

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