PackStatFilter.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.
// (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 ./src/protocols/simple_filters/PackStatFilter.hh
/// @brief header file for PackStatFilter class.
/// @detailed
/// @author Nobuyasu Koga ( nobuyasu@uw.edu )


#ifndef INCLUDED_protocols_simple_filters_PackStatFilter_hh
#define INCLUDED_protocols_simple_filters_PackStatFilter_hh

// Unit Headers
#include <protocols/simple_filters/PackStatFilter.fwd.hh>

// Package Headers
#include <protocols/filters/Filter.hh>

// Project Headers
#include <core/pose/Pose.fwd.hh>

// Utility headers

// Parser headers
#include <protocols/moves/DataMap.fwd.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <protocols/filters/Filter.fwd.hh>
#include <utility/tag/Tag.fwd.hh>

#include <utility/vector1.hh>


// C++ headers

namespace protocols {
namespace simple_filters {

class PackStatFilter : public protocols::filters::Filter {
public:

  typedef protocols::filters::Filter Super;
  typedef protocols::filters::Filter Filter;
  typedef protocols::filters::FilterOP FilterOP;
  typedef core::Real Real;
  typedef core::pose::Pose Pose;

  typedef utility::tag::TagPtr TagPtr;
  typedef protocols::filters::Filters_map Filters_map;
  typedef protocols::moves::DataMap DataMap;
  typedef protocols::moves::Movers_map Movers_map;


public:// constructor/destructor


  /// @brief default constructor
  PackStatFilter();

  /// @brief constructor with arguments
  PackStatFilter( Real const & ss );

  /// @brief copy constructor
  PackStatFilter( PackStatFilter const & rval );

  virtual ~PackStatFilter(){}


public:// virtual constructor


  /// @brief make clone
  virtual filters::FilterOP clone() const { return new PackStatFilter( *this ); }

  /// @brief make fresh instance
  virtual filters::FilterOP fresh_instance() const {  return new PackStatFilter(); }


public:// mutator


  /// @brief set filtered secondary structure
  void filtered_score( Real const & ss );


public:// accessor


  /// @brief get name of this filter
  virtual std::string name() const { return "PackStatFilter"; }



public:// parser

  virtual void parse_my_tag( TagPtr const tag,
                             DataMap &,
                             filters::Filters_map const &,
                             Movers_map const &,
                             Pose const & );


public:// virtual main operation


  /// @brief returns true if the given pose passes the filter, false otherwise.
  /// In this case, the test is whether the give pose is the topology we want.
  virtual bool apply( Pose const & pose ) const;

  /// @brief
  virtual Real report_sm( Pose const & pose ) const;

  /// @brief calc packstat score
  Real compute( Pose const & pose ) const;

  /// @brief determine which chain to evaluate, 0 is all
  core::Size chain_;
  
  /// @brief how many times to repeat evaluation
  core::Size repeats_;
  
private:

  Real filtered_score_;

};

} // filters
} // protocols

#endif