ResidueSetChainEnergyFilter.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file protocols/simple_filters/ResidueSetChainEnergyFilter.hh
/// @brief definition of filter class ResidueSetChainEnergyFilter.
/// @author Chris King (chrisk1@uw.edu)

#ifndef INCLUDED_protocols_simple_filters_ResidueSetChainEnergyFilter_hh
#define INCLUDED_protocols_simple_filters_ResidueSetChainEnergyFilter_hh

//unit headers
#include <protocols/simple_filters/ResidueSetChainEnergyFilter.fwd.hh>

// Project Headers
#include <core/scoring/ScoreFunction.hh>
#include <core/types.hh>
#include <protocols/filters/Filter.hh>
#include <core/pose/Pose.fwd.hh>
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <core/scoring/ScoreType.hh>


namespace protocols {
namespace simple_filters {

class ResidueSetChainEnergyFilter : public filters::Filter
{
public:
  //default ctor
  ResidueSetChainEnergyFilter();
  //full ctor
  ResidueSetChainEnergyFilter( core::scoring::ScoreFunctionCOP scorefxn,
    core::scoring::ScoreType const score_type,
    core::Real const score_type_threshold,
    std::string string_resnums,
    core::Size chain
  );
  bool apply( core::pose::Pose const & pose ) const;
  filters::FilterOP clone() const {
    return new ResidueSetChainEnergyFilter( *this );
  }
  filters::FilterOP fresh_instance() const{
    return new ResidueSetChainEnergyFilter();
  }

  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;
  virtual ~ResidueSetChainEnergyFilter();
  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 & );
private:
  core::Real score_type_threshold_;
  core::scoring::ScoreType score_type_;
  core::scoring::ScoreFunctionOP scorefxn_;
  std::string string_resnums_;
  core::Size chain_;
};

}
}

#endif