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protocols::denovo_design::filters::CavityVolumeFilter Class Reference

#include <CavityVolumeFilter.hh>

Inheritance diagram for protocols::denovo_design::filters::CavityVolumeFilter:
Inheritance graph
[legend]

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
 
bool filter_is_unpublished () const override
 Does this filter indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? Yes, it does. More...
 
utility::vector1
< basic::citation_manager::UnpublishedModuleInfoCOP > 
provide_authorship_info_for_unpublished () const override
 Provide a list of authors and their e-mail addresses, as strings. 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)
 
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...
 

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
bool protocols::denovo_design::filters::CavityVolumeFilter::filter_is_unpublished ( ) const
overridevirtual

Does this filter indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? Yes, it does.

Author
Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org)

Reimplemented from protocols::filters::Filter.

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
utility::vector1< basic::citation_manager::UnpublishedModuleInfoCOP > protocols::denovo_design::filters::CavityVolumeFilter::provide_authorship_info_for_unpublished ( ) const
overridevirtual

Provide a list of authors and their e-mail addresses, as strings.

Returns
A pairs of ("Tom Linsky", "tlinsky@gmail.com").
Author
Vikram K. Mulligan (vmull.nosp@m.igan.nosp@m.@flat.nosp@m.iron.nosp@m.insti.nosp@m.tute.nosp@m..org)

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: