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

detects atomic (<4Ang) contacts between any two atoms of two residues More...

#include <AtomicContactFilter.hh>

Public Member Functions

 AtomicContactFilter ()
 default ctor More...
 
 AtomicContactFilter (core::Size const res1, core::Size const res2, core::Real const distance=4.0, bool const sidechain=1, bool const backbone=0, bool const protons=0)
 Constructor with a single target residue. More...
 
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 ~AtomicContactFilter ()
 
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
 
- Public Member Functions inherited from protocols::moves::ResId
 ResId ()
 
 ResId (core::Size const r)
 
virtual void set_resid (core::Size const r)
 
virtual core::Size get_resid () const
 
virtual core::Sizeget_resid ()
 
virtual bool modifiable () const
 should another method be able to modify resid_. This is used by modify_ResId_based_object as a test More...
 
virtual void modifiable (bool const u)
 
virtual ~ResId ()
 

Private Types

typedef protocols::filters::Filter parent
 

Private Attributes

core::Size residue1_
 
utility::vector1< core::Sizerange1_
 
core::Real distance_
 
bool sidechain_
 
bool backbone_
 
bool protons_
 

Additional Inherited Members

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

Detailed Description

detects atomic (<4Ang) contacts between any two atoms of two residues

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::simple_filters::AtomicContactFilter::AtomicContactFilter ( )
protocols::simple_filters::AtomicContactFilter::AtomicContactFilter ( core::Size const  res1,
core::Size const  res2,
core::Real const  distance = 4.0,
bool const  sidechain = 1,
bool const  backbone = 0,
bool const  protons = 0 
)

Constructor with a single target residue.

References range1_, and residue1_.

virtual protocols::simple_filters::AtomicContactFilter::~AtomicContactFilter ( )
inlinevirtual

Member Function Documentation

bool protocols::simple_filters::AtomicContactFilter::apply ( core::pose::Pose const &  pose) const
virtual
Returns
Whether a disulfide bond is possible between any of the targets

Implements protocols::filters::Filter.

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

virtual filters::FilterOP protocols::simple_filters::AtomicContactFilter::clone ( ) const
inlinevirtual
core::Real protocols::simple_filters::AtomicContactFilter::compute ( core::pose::Pose const &  pose) const
virtual filters::FilterOP protocols::simple_filters::AtomicContactFilter::fresh_instance ( ) const
inlinevirtual
void protocols::simple_filters::AtomicContactFilter::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::AtomicContactFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
virtual

Reimplemented from protocols::filters::Filter.

References compute(), protocols::moves::ResId::get_resid(), and residue1_.

Referenced by apply().

core::Real protocols::simple_filters::AtomicContactFilter::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::AtomicContactFilter::backbone_
private

Referenced by compute(), and parse_my_tag().

core::Real protocols::simple_filters::AtomicContactFilter::distance_
private

Referenced by apply(), and parse_my_tag().

bool protocols::simple_filters::AtomicContactFilter::protons_
private

Referenced by compute(), and parse_my_tag().

utility::vector1< core::Size > protocols::simple_filters::AtomicContactFilter::range1_
private
core::Size protocols::simple_filters::AtomicContactFilter::residue1_
private
bool protocols::simple_filters::AtomicContactFilter::sidechain_
private

Referenced by compute(), and parse_my_tag().


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