FilterStructs.hh

Go to the documentation of this file.

// -*- 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
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.
//
/// @file protocols/flxbb/FilterStructs.hh
/// @brief filter structures
/// @author Nobuyasu Koga ( nobuyasu@uw.edu )

#ifndef INCLUDED_protocols_flxbb_FilterStructs_hh
#define INCLUDED_protocols_flxbb_FilterStructs_hh

// Unit Header
#include <protocols/flxbb/FilterStructs.fwd.hh>

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

// Utility Headers
#include <utility/pointer/ReferenceCount.hh>

#include <string>

#include <utility/vector1.hh>


namespace protocols {
namespace flxbb{


////////////////////////////////////////////////////////////////////////////////////////
class FilterStructs : public utility::pointer::ReferenceCount {
public:

  typedef std::string String;
  typedef core::Real Real;
  typedef core::Size Size;
  typedef core::pose::Pose Pose;
  typedef core::pose::PoseOP PoseOP;


public:// constructor/destructor


  /// @brief default constructor
  FilterStructs();

  /// @brief value constructor
  FilterStructs( String const & name );

  /// @brief value constructor
  FilterStructs( String const & name, Size const ntrial );

  /// @brief value constructor
  FilterStructs( String const & name, Pose const & pose, Size const ntrial );

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

  /// @brief destructor
  virtual ~FilterStructs();


public:// virtural constructor


  /// @brief
  virtual FilterStructsOP clone() const;

  /// @brief
  virtual FilterStructsOP fresh_instance() const;


public:// virtual operations


  /// @brief
  virtual void apply( Pose const & ) = 0;

  /// @brief
  virtual void reset( Pose const & ) = 0;


public:// accessors


  /// @brief
  inline String name() const { return name_; }

  /// @brief
  inline bool filter_on() const { return filter_on_;  }

  /// @brief
  inline Size current_trial() const { return current_trial_; }

  /// @brief
  PoseOP get_bestpose() const;


public:// mutators


  /// @brief
  void name( String const & name );

  /// @brief
  void set_ntrial( Size const ntrial );


protected://


  /// @brief
  void initialize( Pose const & pose );

  /// @brief
  void set_filter_off() { filter_on_ = false; }

  /// @brief
  void set_filter_on() { filter_on_ = true; }

  /// @brief
  void count_ntrial();

  /// @brief
  bool filter_is_over();

  /// @brief
  void set_bestpose( Pose const & pose );


private:

  String name_;
  bool filter_on_;
  Size ntrial_;
  Size current_trial_;
  PoseOP best_pose_;

};

////////////////////////////////////////////////////////////////////////////////////////
class FilterStructs_Packstat : public FilterStructs {
public:

  typedef FilterStructs Super;
  typedef core::Real Real;
  typedef core::Size Size;
  typedef core::pose::Pose Pose;


public:

  /// @brief default constructor
  FilterStructs_Packstat( Size const ntrial=10 );

  /// @brief constructor
  FilterStructs_Packstat( Pose const & pose, Size const ntrial=10 );

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

  /// @brief destructor
  virtual ~FilterStructs_Packstat();


public:// virtural constructor


  /// @brief
  virtual FilterStructsOP clone() const;

  /// @brief
  virtual FilterStructsOP fresh_instance() const;


public:// virtual main operation


  /// @brief
  virtual void apply( Pose const & );

  /// @brief
  virtual void reset( Pose const & );


private:

  Real best_packscore_;

};

////////////////////////////////////////////////////////////////////////////////////////
class FilterStructs_TotalCharge : public FilterStructs {
public:

  typedef FilterStructs Super;
  typedef core::Real Real;
  typedef core::Size Size;
  typedef core::pose::Pose Pose;


public:


  /// @brief constructor
  FilterStructs_TotalCharge( Size const ntrial=20 );

  /// @brief constructor
  FilterStructs_TotalCharge( Pose const & pose, Size const ntrial=20 );

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

  /// @brief destructor
  virtual ~FilterStructs_TotalCharge();


public:// virtural constructor


  /// @brief
  virtual FilterStructsOP clone() const;

  /// @brief
  virtual FilterStructsOP fresh_instance() const;


public:// virtual main operation


  /// @brief
  virtual void apply( Pose const & );

  /// @brief
  virtual void reset( Pose const & );


private:

  Size disallowed_value_;

};



} // flxbb
} // protocols


#endif