Rosetta Protocols  2014.35
Public Member Functions | Private Types | Private Attributes | List of all members
protocols::simple_filters::AtomicDistanceFilter Class Reference

detects atomic contacts between two atoms of two residues More...

#include <AtomicDistanceFilter.hh>

Public Member Functions

 AtomicDistanceFilter ()
 default ctor More...
 
 AtomicDistanceFilter (core::Size const res1, core::Size const res2, std::string atom_desig1="CB", std::string atom_desig2="CB", bool as_type1=false, bool as_type2=false, core::Real const distance=4.0)
 
virtual bool apply (core::pose::Pose const &pose) const
 
core::Real compute (core::pose::Pose const &pose) const
 
virtual void report (std::ostream &out, core::pose::Pose const &pose) const
 
virtual core::Real report_sm (core::pose::Pose const &pose) const
 used to report filter internals through a score or silent file More...
 
virtual filters::FilterOP clone () const
 
virtual filters::FilterOP fresh_instance () const
 
virtual ~AtomicDistanceFilter ()
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &)
 
- Public Member Functions inherited from protocols::filters::Filter
 Filter ()
 
 Filter (std::string const &)
 
 Filter (Filter const &)
 
virtual ~Filter ()
 
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 void apply (core::io::serialization::PipeMap &pmap)
 
virtual void score (core::io::serialization::PipeMap &pmap)
 
virtual core::Real score (core::pose::Pose &pose)
 
virtual void parse_def (utility::lua::LuaObject const &def, utility::lua::LuaObject const &score_fxns, utility::lua::LuaObject const &tasks)
 
virtual std::string name () const
 

Private Types

typedef protocols::filters::Filter parent
 

Private Attributes

core::Size residue1_
 
core::Size residue2_
 
std::string atomdesg1_
 
std::string atomdesg2_
 
bool astype1_
 
bool astype2_
 
core::Real distance_
 

Additional Inherited Members

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

Detailed Description

detects atomic contacts between two atoms of two residues

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::simple_filters::AtomicDistanceFilter::AtomicDistanceFilter ( )
protocols::simple_filters::AtomicDistanceFilter::AtomicDistanceFilter ( core::Size const  res1,
core::Size const  res2,
std::string  atom_desig1 = "CB",
std::string  atom_desig2 = "CB",
bool  as_type1 = false,
bool  as_type2 = false,
core::Real const  distance = 4.0 
)
virtual protocols::simple_filters::AtomicDistanceFilter::~AtomicDistanceFilter ( )
inlinevirtual

Member Function Documentation

bool protocols::simple_filters::AtomicDistanceFilter::apply ( core::pose::Pose const &  pose) const
virtual
Returns
Whether the atom pair is within the cutoff

Implements protocols::filters::Filter.

References compute(), distance_, report(), and protocols::simple_filters::TR.

virtual filters::FilterOP protocols::simple_filters::AtomicDistanceFilter::clone ( ) const
inlinevirtual
core::Real protocols::simple_filters::AtomicDistanceFilter::compute ( core::pose::Pose const &  pose) const
virtual filters::FilterOP protocols::simple_filters::AtomicDistanceFilter::fresh_instance ( ) const
inlinevirtual
void protocols::simple_filters::AtomicDistanceFilter::parse_my_tag ( utility::tag::TagCOP  tag,
basic::datacache::DataMap ,
protocols::filters::Filters_map const &  ,
protocols::moves::Movers_map const &  ,
core::pose::Pose const &  pose 
)
virtual
void protocols::simple_filters::AtomicDistanceFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
virtual

Reimplemented from protocols::filters::Filter.

References astype1_, astype2_, atomdesg1_, atomdesg2_, compute(), residue1_, and residue2_.

Referenced by apply().

core::Real protocols::simple_filters::AtomicDistanceFilter::report_sm ( core::pose::Pose const &  ) const
virtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

References compute().

Member Data Documentation

bool protocols::simple_filters::AtomicDistanceFilter::astype1_
private

Referenced by compute(), parse_my_tag(), and report().

bool protocols::simple_filters::AtomicDistanceFilter::astype2_
private

Referenced by compute(), parse_my_tag(), and report().

std::string protocols::simple_filters::AtomicDistanceFilter::atomdesg1_
private

Referenced by compute(), parse_my_tag(), and report().

std::string protocols::simple_filters::AtomicDistanceFilter::atomdesg2_
private

Referenced by compute(), parse_my_tag(), and report().

core::Real protocols::simple_filters::AtomicDistanceFilter::distance_
private

Referenced by apply(), and parse_my_tag().

core::Size protocols::simple_filters::AtomicDistanceFilter::residue1_
private

Referenced by compute(), parse_my_tag(), and report().

core::Size protocols::simple_filters::AtomicDistanceFilter::residue2_
private

Referenced by compute(), parse_my_tag(), and report().


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