CalculatorFilter.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 sw=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (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/filters/CalculatorFilter.hh
/// @brief Combine several filters in a (semi) arbitrary calculation 
/// @author Rocco Moretti (rmoretti@u.washington.edu) 

#ifndef INCLUDED_protocols_filters_CalculatorFilter_hh
#define INCLUDED_protocols_filters_CalculatorFilter_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 <numeric/Calculator.fwd.hh>
#include <utility/vector1.hh>

#include <string>

// Unit headers

namespace protocols {
namespace filters {

class CalculatorFilter : public protocols::filters::Filter
{
public:
  CalculatorFilter();
  CalculatorFilter(std::string equation);
  CalculatorFilter(CalculatorFilter const & other);
  virtual ~CalculatorFilter();
 
  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;
  core::Real compute( core::pose::Pose const & pose ) const;

  virtual protocols::filters::FilterOP clone() const {
    return new CalculatorFilter( *this );
  }
  virtual protocols::filters::FilterOP fresh_instance() const{
    return new CalculatorFilter();
  }

  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 threshold( core::Real threshold) { threshold_ = threshold; }

  void add_filter( std::string name, protocols::filters::FilterOP filter );

  void add_constant( std::string name, core::Real value );
  
private:
  numeric::CalculatorOP calc_;
  std::map<std::string, core::Real> values_;
  std::map<std::string, protocols::filters::FilterOP> filters_;
  core::Real threshold_;

};

} // filters
} // protocols

#endif //INCLUDED_protocols_Filters_CalculatorFilter_HH_