SidechainRmsdFilter.hh

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//
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/// @file protocols/simple_filters/SidechainRmsdFilter.hh
/// @brief A filter based on automorphic sidechain RMSD
/// @author Noah Ollikainen

#ifndef INCLUDED_protocols_simple_filters_SidechainRmsdFilter_hh
#define INCLUDED_protocols_simple_filters_SidechainRmsdFilter_hh

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

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

namespace protocols {
namespace simple_filters {

class SidechainRmsdFilter : public filters::Filter
{
public:
  SidechainRmsdFilter();
  SidechainRmsdFilter( core::Size const res1, core::Size const res2, core::Real const rmsd_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::Real compute( core::pose::Pose const & pose ) const;
  filters::FilterOP clone() const;
  filters::FilterOP fresh_instance() const;

  virtual ~SidechainRmsdFilter();
  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 &);
private:
  core::Size res1_, res2_;
  core::Real rmsd_threshold_;
  core::pose::PoseOP reference_pose_;
  bool include_backbone_;
};

}
}

#endif