DesignableResiduesFilter.hh

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// vi: set ts=2 sw=2 noet:
//
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/// @file protocols/filters/DesignableResiduesFilter.hh
/// @brief Reports to Tracer which residues are designable in a taskfactory
/// @author Sarel Fleishman (sarelf@uw.edu)

#ifndef INCLUDED_protocols_protein_interface_design_filters_DesignableResiduesFilter_hh
#define INCLUDED_protocols_protein_interface_design_filters_DesignableResiduesFilter_hh


// Project Headers
#include <protocols/filters/Filter.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/tag/Tag.fwd.hh>
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <protocols/protein_interface_design/filters/DesignableResiduesFilter.fwd.hh>

#include <core/pack/task/TaskFactory.fwd.hh>
#include <utility/vector1.hh>

// Unit headers

namespace protocols {
namespace protein_interface_design{
namespace filters {

class DesignableResiduesFilter : public protocols::filters::Filter

{
private:
  typedef protocols::filters::Filter parent;
public:
  /// @brief default ctor
  DesignableResiduesFilter();
  ///@brief Constructor with a single target residue
  virtual bool apply( core::pose::Pose const & pose ) const;
  virtual void report( std::ostream & out, core::pose::Pose const & pose ) const;
  virtual core::Real report_sm( core::pose::Pose const & pose ) const;
  virtual protocols::filters::FilterOP clone() const;
  virtual protocols::filters::FilterOP fresh_instance() const;
  core::Size compute( core::pose::Pose const & pose ) const;
  virtual ~DesignableResiduesFilter();
  core::pack::task::TaskFactoryOP task_factory() const;
  void task_factory( core::pack::task::TaskFactoryOP task_factory );
  void parse_my_tag( utility::tag::TagPtr const tag,
    protocols::moves::DataMap &,
    protocols::filters::Filters_map const &,
    protocols::moves::Movers_map const &,
    core::pose::Pose const & );
  void parse_def( utility::lua::LuaObject const & def,
          utility::lua::LuaObject const & score_fxns,
          utility::lua::LuaObject const & tasks );
  core::Size lower_threshold() const;
  core::Size upper_threshold() const;
  bool packable() const;
  bool designable() const;
  void lower_threshold( core::Size const l );
  void upper_threshold( core::Size const u );
  void packable( bool const p );
  void designable( bool const d );
private:
  core::pack::task::TaskFactoryOP task_factory_;
  core::Size lower_threshold_, upper_threshold_; // how many design positions should be allowed for a passing design  
  bool packable_, designable_; // which sort of residues to report (packable or designable or both)
};

} // filters
} //protein_interface_design
} // protocols

#endif //INCLUDED_protocols_Filters_DesignableResiduesFilter_HH_