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protocols::docking::DockingLowResFilter Class Reference

Low-resolution (centroid-mode) filter for docking. Checks (1) at least some contact is being made between docking partners, (2) clashes are limited so partners are not overlapping and (3) constraints, if present, are met. More...

#include <DockFilters.hh>

Inheritance diagram for protocols::docking::DockingLowResFilter:
Inheritance graph
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Public Member Functions

 DockingLowResFilter ()
 
 DockingLowResFilter (const DockingLowResFilter &init)
 
 ~DockingLowResFilter () override
 
void set_use_constraints (bool flag, core::Real cutoff=1.0)
 
bool apply (core::pose::Pose const &pose) const override
 add docking constraints More...
 
void report (std::ostream &out, core::pose::Pose const &pose) const override
 
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 (Filter const &)
 
 ~Filter () override
 
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 bool filter_provides_citation_info () const
 Does this filter provide information about how to cite it? More...
 
virtual utility::vector1
< basic::citation_manager::CitationCollectionCOP > 
provide_citation_info () const
 Provide the citation. More...
 
virtual bool filter_is_unpublished () const
 Does this filter indicate that it is unpublished (and, by extension, that the author should be included in publications resulting from it)? More...
 
virtual utility::vector1
< basic::citation_manager::UnpublishedModuleInfoCOP > 
provide_authorship_info_for_unpublished () const
 Provide a list of authors and their e-mail addresses, as strings. More...
 

Private Attributes

bool use_constraints_
 
protocols::filters::FilterCollectionOP filters_
 boolean to indicate if constraints are used More...
 

Additional Inherited Members

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

Detailed Description

Low-resolution (centroid-mode) filter for docking. Checks (1) at least some contact is being made between docking partners, (2) clashes are limited so partners are not overlapping and (3) constraints, if present, are met.

Constructor & Destructor Documentation

protocols::docking::DockingLowResFilter::DockingLowResFilter ( )
protocols::docking::DockingLowResFilter::DockingLowResFilter ( const DockingLowResFilter init)
default
protocols::docking::DockingLowResFilter::~DockingLowResFilter ( )
overridedefault

Member Function Documentation

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

add docking constraints

Implements protocols::filters::Filter.

References filters_.

protocols::filters::FilterOP protocols::docking::DockingLowResFilter::clone ( ) const
inlineoverridevirtual
protocols::filters::FilterOP protocols::docking::DockingLowResFilter::fresh_instance ( ) const
inlineoverridevirtual
void protocols::docking::DockingLowResFilter::report ( std::ostream &  out,
core::pose::Pose const &  pose 
) const
overridevirtual

Reimplemented from protocols::filters::Filter.

References filters_.

void protocols::docking::DockingLowResFilter::set_use_constraints ( bool  flag,
core::Real  cutoff = 1.0 
)

Member Data Documentation

protocols::filters::FilterCollectionOP protocols::docking::DockingLowResFilter::filters_
private

boolean to indicate if constraints are used

Referenced by apply(), DockingLowResFilter(), report(), and set_use_constraints().

bool protocols::docking::DockingLowResFilter::use_constraints_
private

Referenced by set_use_constraints().


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