Public Member Functions | Private Attributes | List of all members
protocols::docking::DockingHighResFilter Class Reference

High-resolution (all-atom) filter for docking. Checks (1) total_score beats the cutoff given (2) interface_score must be negative. More...

#include <DockFilters.hh>

Inheritance diagram for protocols::docking::DockingHighResFilter:
Inheritance graph

Public Member Functions

 DockingHighResFilter ()
 DockingHighResFilter (const DockingHighResFilter &init)
 ~DockingHighResFilter () override
void set_score_margin (core::Real new_score_margin)
void set_score_cutoff (core::Real new_cutoff)
void set_moveable_jumps (DockJumps const &movable_jumps)
void set_scorefunction (core::scoring::ScoreFunctionOP const scorefunction)
bool apply (core::pose::Pose const &pose) const override
 Returns true if the given pose passes the filter, false otherwise. More...
protocols::filters::FilterOP clone () const override
protocols::filters::FilterOP fresh_instance () const override
- Public Member Functions inherited from protocols::filters::Filter
 Filter ()
 Filter (std::string const &)
 ~Filter () override
virtual void report (std::ostream &, core::pose::Pose const &) const
virtual core::Real report_sm (core::pose::Pose const &) const
 used to report filter internals through a score or silent file More...
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 &)
 Called by FilterFactory when constructing new Filter. Takes care of the specific mover's parsing. More...
virtual core::Real score (core::pose::Pose &pose)
virtual std::string name () const
virtual void provide_citation_info (basic::citation_manager::CitationCollectionList &) const
 Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Private Attributes

DockJumps movable_jumps_
core::Real score_margin_
core::scoring::ScoreFunctionOP scorefunction_
 extra margin for passing filters for early in protocol More...
protocols::score_filters::ScoreCutoffFilterOP scorefilter_
 ScoreFunction for evaluating interface_score //defaults to docking scorefxn. More...

Additional Inherited Members

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

Detailed Description

High-resolution (all-atom) filter for docking. Checks (1) total_score beats the cutoff given (2) interface_score must be negative.

/// @rosetta++ had: 1-score filter 2-fa_rep filter 3-interfaceE filter 4-chainbreak filter TTD: add these other filters

Constructor & Destructor Documentation

◆ DockingHighResFilter() [1/2]

protocols::docking::DockingHighResFilter::DockingHighResFilter ( )

◆ DockingHighResFilter() [2/2]

protocols::docking::DockingHighResFilter::DockingHighResFilter ( const DockingHighResFilter init)

◆ ~DockingHighResFilter()

protocols::docking::DockingHighResFilter::~DockingHighResFilter ( )

Member Function Documentation

◆ apply()

bool protocols::docking::DockingHighResFilter::apply ( core::pose::Pose const &  pose) const

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

Implements protocols::filters::Filter.

References protocols::docking::calc_interaction_energy(), movable_jumps_, scorefilter_, and scorefunction_.

◆ clone()

protocols::filters::FilterOP protocols::docking::DockingHighResFilter::clone ( ) const

◆ fresh_instance()

protocols::filters::FilterOP protocols::docking::DockingHighResFilter::fresh_instance ( ) const

◆ set_moveable_jumps()

void protocols::docking::DockingHighResFilter::set_moveable_jumps ( DockJumps const &  movable_jumps)

References movable_jumps_.

◆ set_score_cutoff()

void protocols::docking::DockingHighResFilter::set_score_cutoff ( core::Real  new_cutoff)

References scorefilter_.

◆ set_score_margin()

void protocols::docking::DockingHighResFilter::set_score_margin ( core::Real  new_score_margin)

References score_margin_, and scorefilter_.

◆ set_scorefunction()

void protocols::docking::DockingHighResFilter::set_scorefunction ( core::scoring::ScoreFunctionOP const  scorefunction)

References scorefunction_.

Member Data Documentation

◆ movable_jumps_

DockJumps protocols::docking::DockingHighResFilter::movable_jumps_

◆ score_margin_

core::Real protocols::docking::DockingHighResFilter::score_margin_

◆ scorefilter_

protocols::score_filters::ScoreCutoffFilterOP protocols::docking::DockingHighResFilter::scorefilter_

ScoreFunction for evaluating interface_score //defaults to docking scorefxn.

Referenced by apply(), DockingHighResFilter(), set_score_cutoff(), and set_score_margin().

◆ scorefunction_

core::scoring::ScoreFunctionOP protocols::docking::DockingHighResFilter::scorefunction_

extra margin for passing filters for early in protocol

Referenced by apply(), DockingHighResFilter(), and set_scorefunction().

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