ResidueBurialFilter.hh

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/// @file protocols/simple_filters/ResidueBurialFilter.hh
/// @brief definition of filter class ResidueBurialFilter.
/// @author Sarel Fleishman (sarelf@u.washington.edu), Jacob Corn (jecorn@u.washington.edu)

#ifndef INCLUDED_protocols_simple_filters_ResidueBurialFilter_hh
#define INCLUDED_protocols_simple_filters_ResidueBurialFilter_hh

#include <protocols/simple_filters/ResidueBurialFilter.fwd.hh>
#include <core/types.hh>
#include <protocols/filters/Filter.hh>
#include <utility/tag/Tag.fwd.hh>
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>

namespace protocols {
namespace simple_filters {

class ResidueBurialFilter : public filters::Filter
{
public:
  ResidueBurialFilter();
  ResidueBurialFilter( core::Size const target_residue, core::Size const neighbors, core::Real const distance_threshold );
  bool apply( core::pose::Pose const & pose ) const;
  void report( std::ostream & out, core::pose::Pose const & pose ) const;
  core::Real report_sm( core::pose::Pose const & pose ) const;
  core::Size compute( core::pose::Pose const & pose ) const;
  filters::FilterOP clone() const;
  filters::FilterOP fresh_instance() const;
  core::pack::task::TaskFactoryOP task_factory() const;
  void task_factory( core::pack::task::TaskFactoryOP tf );

  virtual ~ResidueBurialFilter();
  void parse_my_tag( utility::tag::TagPtr const tag, protocols::moves::DataMap &, filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const & );
  core::Real residue_fraction_buried() const { return residue_fraction_buried_; }
  void residue_fraction_buried( core::Real const r ){ residue_fraction_buried_ = r; }
private:
  core::Size target_residue_;
  core::Size neighbors_;
  core::Real distance_threshold_;
  core::pack::task::TaskFactoryOP task_factory_; /// used to determine which residues to check for burial dynamically. All designable residues will be checked, and if any of them is buried, returns true
  core::Real residue_fraction_buried_; // dflt 0.0001; what fraction of the residues specified by the task_factory should be buried for the filter to pass

};

}
}

#endif