BuriedUnsatHbondFilter.hh

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

#ifndef INCLUDED_protocols_simple_filters_BuriedUnsatHbondFilter_hh
#define INCLUDED_protocols_simple_filters_BuriedUnsatHbondFilter_hh

#include <protocols/simple_filters/BuriedUnsatHbondFilter.fwd.hh>

#include <core/scoring/ScoreFunction.fwd.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/pose/Pose.fwd.hh>
#include <core/pack/task/TaskFactory.fwd.hh>

namespace protocols {
namespace simple_filters {

/// @brief filters based on an upper bound # of buried unsatisfied polar residues
class BuriedUnsatHbondFilter : public filters::Filter
{
public:
  BuriedUnsatHbondFilter();
  BuriedUnsatHbondFilter( core::Size const upper_threshold, core::Size const jump_num );
  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::Real compute( core::pose::Pose const & pose ) const;
  filters::FilterOP clone() const;
  filters::FilterOP fresh_instance() const;

  virtual ~BuriedUnsatHbondFilter();
  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 & );
  void task_factory( core::pack::task::TaskFactoryOP tf );
  core::pack::task::TaskFactoryOP task_factory() const;
private:
  core::scoring::ScoreFunctionCOP sfxn_;
  core::Size upper_threshold_;
  core::Size jump_num_;
  core::pack::task::TaskFactoryOP task_factory_; // dflt NULL; only residues defined as packable by the taskoperations will be tested for burial
};

}
}
#endif