NMerPSSMEnergyFilter.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file protocols/simple_filters/NMerPSSMEnergyFilter.hh
/// @brief definition of filter class NMerPSSMEnergyFilter.
/// @author Chris King (chrisk1@uw.edu)

#ifndef INCLUDED_protocols_simple_filters_NMerPSSMEnergyFilter_hh
#define INCLUDED_protocols_simple_filters_NMerPSSMEnergyFilter_hh

//unit headers
#include <protocols/simple_filters/NMerPSSMEnergyFilter.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/methods/NMerPSSMEnergy.hh>

namespace protocols {
namespace simple_filters {

class NMerPSSMEnergyFilter : public filters::Filter
{
public:
  //default ctor
  NMerPSSMEnergyFilter();
  //full ctor
  NMerPSSMEnergyFilter( 
    core::Real const score_type_threshold,
    std::string string_resnums
  );
  bool apply( core::pose::Pose const & pose ) const;
  filters::FilterOP clone() const {
    return new NMerPSSMEnergyFilter( *this );
  }
  filters::FilterOP fresh_instance() const{
    return new NMerPSSMEnergyFilter();
  }

  void report( std::ostream & out, core::pose::Pose const & pose ) const;
  core::Real report_sm( core::pose::Pose const & pose ) const;
  core::Real compute_residue( core::pose::Pose const & pose, core::Size const seqpos ) const;
  core::Real compute( core::pose::Pose const &pose ) const;
  virtual ~NMerPSSMEnergyFilter();
  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_;
  std::string string_resnums_;
  core::scoring::methods::NMerPSSMEnergy energy_method_;
};

}
}

#endif