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Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::denovo_design::filters::CavityVolumeFilter Class Reference

#include <CavityVolumeFilter.hh>

Inheritance diagram for protocols::denovo_design::filters::CavityVolumeFilter:
Inheritance graph
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Public Member Functions

 CavityVolumeFilter ()
 Initialize CavityVolumeFilter. More...
 
 ~CavityVolumeFilter () override
 virtual constructor to allow derivation More...
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override
 Parses the CavityVolumeFilter tags. More...
 
virtual std::string get_name () const
 Return the name of this mover. More...
 
protocols::filters::FilterOP clone () const override
 return a fresh instance of this class in an owning pointer More...
 
protocols::filters::FilterOP fresh_instance () const override
 Apply the CavityVolumeFilter. Overloaded apply function from filter base class. 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...
 
bool apply (core::pose::Pose const &pose) const override
 Does the CavityVolume Filtering. More...
 
core::Real compute (core::pose::Pose const &pose) const
 
std::string name () const override
 
void provide_citation_info (basic::citation_manager::CitationCollectionList &) const override
 Provide the citation. More...
 
- 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)
 

Static Public Member Functions

static std::string class_name ()
 
static void provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)
 

Private Attributes

core::select::residue_selector::ResidueSelectorCOP selector_
 residue selector to choose residues near which to scan More...
 

Additional Inherited Members

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

Constructor & Destructor Documentation

protocols::denovo_design::filters::CavityVolumeFilter::CavityVolumeFilter ( )

Initialize CavityVolumeFilter.


CavityVolumeFilter main code:

protocols::denovo_design::filters::CavityVolumeFilter::~CavityVolumeFilter ( )
overridedefault

virtual constructor to allow derivation

destructor - this class has no dynamic allocation, so / nothing needs to be cleaned. C++ will take care of that for us.

Member Function Documentation

bool protocols::denovo_design::filters::CavityVolumeFilter::apply ( core::pose::Pose const &  pose) const
overridevirtual

Does the CavityVolume Filtering.

Implements protocols::filters::Filter.

References report_sm().

std::string protocols::denovo_design::filters::CavityVolumeFilter::class_name ( )
static
protocols::filters::FilterOP protocols::denovo_design::filters::CavityVolumeFilter::clone ( ) const
overridevirtual

return a fresh instance of this class in an owning pointer

Return a copy of ourselves.

Implements protocols::filters::Filter.

core::Real protocols::denovo_design::filters::CavityVolumeFilter::compute ( core::pose::Pose const &  pose) const
protocols::filters::FilterOP protocols::denovo_design::filters::CavityVolumeFilter::fresh_instance ( ) const
overridevirtual

Apply the CavityVolumeFilter. Overloaded apply function from filter base class.

Implements protocols::filters::Filter.

std::string protocols::denovo_design::filters::CavityVolumeFilter::get_name ( ) const
virtual

Return the name of this mover.

std::string protocols::denovo_design::filters::CavityVolumeFilter::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::denovo_design::filters::CavityVolumeFilter::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap &  data 
)
overridevirtual
void protocols::denovo_design::filters::CavityVolumeFilter::provide_citation_info ( basic::citation_manager::CitationCollectionList &  citations) const
overridevirtual

Provide the citation.

Reimplemented from protocols::filters::Filter.

References class_name().

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

Reimplemented from protocols::filters::Filter.

References compute().

core::Real protocols::denovo_design::filters::CavityVolumeFilter::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().

Referenced by apply().

Member Data Documentation

core::select::residue_selector::ResidueSelectorCOP protocols::denovo_design::filters::CavityVolumeFilter::selector_
private

residue selector to choose residues near which to scan

Referenced by compute(), and parse_my_tag().


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