Rosetta Protocols  2014.35
Public Types | Public Member Functions | Private Attributes | List of all members
protocols::protein_interface_design::filters::HbondsToAtomFilter Class Reference

returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class More...

#include <HbondsToAtomFilter.hh>

Public Types

typedef core::Real Real
 
typedef core::Size Size
 

Public Member Functions

 HbondsToAtomFilter ()
 
 HbondsToAtomFilter (Size const resnum, Size const partners, Real const energy_cutoff=-0.5, bool const backbone=false, bool const sidechain=true)
 
bool apply (core::pose::Pose const &pose) const
 Returns true if the given pose passes the filter, false otherwise. More...
 
FilterOP clone () const
 
FilterOP fresh_instance () const
 
void report (std::ostream &out, core::pose::Pose const &pose) const
 
core::Real report_sm (core::pose::Pose const &pose) const
 used to report filter internals through a score or silent file More...
 
core::Size compute (core::pose::Pose const &pose) const
 
virtual ~HbondsToAtomFilter ()
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &, 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 parse_my_tag (utility::tag::TagCOP, basic::datacache::DataMap &, Filters_map const &, moves::Movers_map const &, core::pose::Pose const &)
 
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 Attributes

Size resnum_
 
Size partners_
 
Real energy_cutoff_
 
std::string atomdesg_
 
bool backbone_
 
bool sidechain_
 
bool bb_bb_
 

Additional Inherited Members

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

Detailed Description

returns true if the number of hbonding partners to a particular residue exceeds a certain value This filter is useful in conjunction with DesignMinimizeHbonds class

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::protein_interface_design::filters::HbondsToAtomFilter::HbondsToAtomFilter ( )
inline

Referenced by clone(), and fresh_instance().

protocols::protein_interface_design::filters::HbondsToAtomFilter::HbondsToAtomFilter ( Size const  resnum,
Size const  partners,
Real const  energy_cutoff = -0.5,
bool const  backbone = false,
bool const  sidechain = true 
)
inline
protocols::protein_interface_design::filters::HbondsToAtomFilter::~HbondsToAtomFilter ( )
virtual

Member Function Documentation

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::apply ( core::pose::Pose const &  pose) const
virtual

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

Implements protocols::filters::Filter.

References core::scoring::TR.

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

Reimplemented from protocols::filters::Filter.

core::Real protocols::protein_interface_design::filters::HbondsToAtomFilter::report_sm ( core::pose::Pose const &  ) const
virtual

used to report filter internals through a score or silent file

Reimplemented from protocols::filters::Filter.

Member Data Documentation

std::string protocols::protein_interface_design::filters::HbondsToAtomFilter::atomdesg_
private
bool protocols::protein_interface_design::filters::HbondsToAtomFilter::backbone_
private

Referenced by HbondsToAtomFilter().

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::bb_bb_
private
Real protocols::protein_interface_design::filters::HbondsToAtomFilter::energy_cutoff_
private

Referenced by HbondsToAtomFilter().

Size protocols::protein_interface_design::filters::HbondsToAtomFilter::partners_
private

Referenced by HbondsToAtomFilter().

Size protocols::protein_interface_design::filters::HbondsToAtomFilter::resnum_
private

Referenced by HbondsToAtomFilter().

bool protocols::protein_interface_design::filters::HbondsToAtomFilter::sidechain_
private

Referenced by HbondsToAtomFilter().


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