Rosetta  2020.37
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
Public Member Functions | Static Public Member Functions | Private Attributes | List of all members
protocols::simple_ddg::InterfaceBindingEnergyDensityFilter Class Reference

#include <InterfaceBindingEnergyDensityFilter.hh>

Inheritance diagram for protocols::simple_ddg::InterfaceBindingEnergyDensityFilter:
Inheritance graph
[legend]

Public Member Functions

 InterfaceBindingEnergyDensityFilter ()
 
 InterfaceBindingEnergyDensityFilter (protocols::simple_filters::InterfaceSasaFilterOP sasa_filter, DdgFilterOP ddG_filter, core::Real threshold)
 
 ~InterfaceBindingEnergyDensityFilter () override
 
void set_interface_sasa_filter (protocols::simple_filters::InterfaceSasaFilterOP sasa_filter)
 
void set_ddG_filter (DdgFilterOP ddG_filter)
 
void set_upper_threshold (core::Real 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::Real compute (core::pose::Pose const &pose) const
 
filters::FilterOP clone () const override
 
filters::FilterOP fresh_instance () const override
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &) override
 Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing. 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 Does this filter indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)?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

protocols::simple_filters::InterfaceSasaFilterOP sasa_filter_
 
DdgFilterOP ddG_filter_
 
core::Real upper_threshold_
 

Additional Inherited Members

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

Constructor & Destructor Documentation

protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::InterfaceBindingEnergyDensityFilter ( )
protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::InterfaceBindingEnergyDensityFilter ( protocols::simple_filters::InterfaceSasaFilterOP  sasa_filter,
DdgFilterOP  ddG_filter,
core::Real  threshold 
)
protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::~InterfaceBindingEnergyDensityFilter ( )
overridedefault

Member Function Documentation

bool protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::apply ( core::pose::Pose const &  pose) const
overridevirtual

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

Implements protocols::filters::Filter.

References ddG_filter_, sasa_filter_, protocols::simple_ddg::TR(), and upper_threshold_.

std::string protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::class_name ( )
static
filters::FilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::clone ( ) const
overridevirtual
core::Real protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::compute ( core::pose::Pose const &  pose) const

References ddG_filter_, and sasa_filter_.

filters::FilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::fresh_instance ( ) const
overridevirtual
std::string protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::name ( ) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References class_name().

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::parse_my_tag ( utility::tag::TagCOP  ,
basic::datacache::DataMap &   
)
overridevirtual

Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing.

Reimplemented from protocols::filters::Filter.

References ddG_filter_, protocols::rosetta_scripts::parse_filter_or_null(), sasa_filter_, and upper_threshold_.

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

Reimplemented from protocols::filters::Filter.

References ddG_filter_, and sasa_filter_.

core::Real protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::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 ddG_filter_, and sasa_filter_.

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_ddG_filter ( DdgFilterOP  ddG_filter)

References ddG_filter_.

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_interface_sasa_filter ( protocols::simple_filters::InterfaceSasaFilterOP  sasa_filter)

References sasa_filter_.

void protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::set_upper_threshold ( core::Real  threshold)

References upper_threshold_.

Member Data Documentation

DdgFilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::ddG_filter_
private
protocols::simple_filters::InterfaceSasaFilterOP protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::sasa_filter_
private
core::Real protocols::simple_ddg::InterfaceBindingEnergyDensityFilter::upper_threshold_
private

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