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

#include <EnzFilters.hh>

Public Types

typedef protocols::filters::Filter Filter
 
typedef
protocols::filters::FilterOP 
FilterOP
 
typedef
protocols::filters::Filters_map 
Filters_map
 

Public Member Functions

 RepackWithoutLigandFilter ()
 
 RepackWithoutLigandFilter (core::scoring::ScoreFunctionOP scorefxn, core::Real rms_thresh, core::Real energy_thresh, utility::vector1< core::Size > rms_target_res)
 
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::Real compute (core::pose::Pose const &pose) const
 
virtual ~RepackWithoutLigandFilter ()
 
void parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &, Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const &pose)
 
void set_scorefxn (core::scoring::ScoreFunctionOP scorefxn)
 
void set_cstid_list (std::string setting)
 
- 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 Attributes

core::scoring::ScoreFunctionOP scorefxn_
 
core::Real rms_threshold_
 
core::Real energy_threshold_
 
bool calc_dE_
 
bool calc_rms_
 
bool use_cstids_
 
bool rms_all_rpked_
 
std::string cstid_list_
 
utility::vector1< core::Sizetarget_res_
 

Additional Inherited Members

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

Member Typedef Documentation

Constructor & Destructor Documentation

protocols::enzdes::RepackWithoutLigandFilter::RepackWithoutLigandFilter ( )
inline

Referenced by clone(), and fresh_instance().

protocols::enzdes::RepackWithoutLigandFilter::RepackWithoutLigandFilter ( core::scoring::ScoreFunctionOP  scorefxn,
core::Real  rms_thresh,
core::Real  energy_thresh,
utility::vector1< core::Size rms_target_res 
)
protocols::enzdes::RepackWithoutLigandFilter::~RepackWithoutLigandFilter ( )
virtual

Member Function Documentation

bool protocols::enzdes::RepackWithoutLigandFilter::apply ( core::pose::Pose const &  pose) const
virtual

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

Implements protocols::filters::Filter.

References calc_dE_, calc_rms_, compute(), energy_threshold_, and rms_threshold_.

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

void protocols::enzdes::RepackWithoutLigandFilter::set_cstid_list ( std::string  setting)
inline

References cstid_list_.

void protocols::enzdes::RepackWithoutLigandFilter::set_scorefxn ( core::scoring::ScoreFunctionOP  scorefxn)
inline

References scorefxn_.

Member Data Documentation

bool protocols::enzdes::RepackWithoutLigandFilter::calc_dE_
private

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

bool protocols::enzdes::RepackWithoutLigandFilter::calc_rms_
private

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

std::string protocols::enzdes::RepackWithoutLigandFilter::cstid_list_
private
core::Real protocols::enzdes::RepackWithoutLigandFilter::energy_threshold_
private

Referenced by apply(), and parse_my_tag().

bool protocols::enzdes::RepackWithoutLigandFilter::rms_all_rpked_
private

Referenced by compute(), and parse_my_tag().

core::Real protocols::enzdes::RepackWithoutLigandFilter::rms_threshold_
private

Referenced by apply(), and parse_my_tag().

core::scoring::ScoreFunctionOP protocols::enzdes::RepackWithoutLigandFilter::scorefxn_
private

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

utility::vector1< core::Size > protocols::enzdes::RepackWithoutLigandFilter::target_res_
private

Referenced by compute(), and parse_my_tag().

bool protocols::enzdes::RepackWithoutLigandFilter::use_cstids_
private

Referenced by compute(), and parse_my_tag().


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