DockingLowResEnsemble.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
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file protocols/docking/DockinLowResEnsemble
/// @brief low resolution mode for ensemble docking
/// @detailed
/// @author Daisuke Kuroda
///


#ifndef INCLUDED_protocols_docking_DockingLowRes_Ensemble_hh
#define INCLUDED_protocols_docking_DockingLowRes_Ensemble_hh

#include <protocols/docking/types.hh>
#include <protocols/docking/DockingLowRes.hh>
#include <protocols/docking/DockingLowResEnsemble.fwd.hh>
#include <protocols/docking/DockingEnsemble.fwd.hh>

// Package headers
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

#include <protocols/docking/ConformerSwitchMover.fwd.hh>
#include <protocols/moves/MoverContainer.fwd.hh>
#include <protocols/moves/MonteCarlo.fwd.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/rigid/RigidBodyMover.fwd.hh>
// AUTO-REMOVED #include <protocols/filters/Filter.hh>
// AUTO-REMOVED #include <protocols/simple_filters/ScoreCutoffFilter.hh>

#include <string>

// option key includes

// AUTO-REMOVED #include <basic/options/keys/docking.OptionKeys.gen.hh>

#include <utility/vector1.hh>
#include <iostream>

namespace protocols {
namespace docking {

class DockingLowResEnsemble : public DockingLowRes
{
  //typedef core::Real Real;
public:

  /// @brief Default constructor
  DockingLowResEnsemble();

  // destructor
  ~DockingLowResEnsemble();

  /// @brief Constructor with two arguments.  The first is scorefunction to be used for docking, the second is the
  ///   DockJumps.
  DockingLowResEnsemble(
        core::scoring::ScoreFunctionCOP scorefxn,
        DockJumps const movable_jumps
    );
  
    virtual protocols::moves::MoverOP clone() const;
    
    virtual void show( std::ostream & out=std::cout ) const;
    
  // option setters
  void set_ensemble1( DockingEnsembleOP ensemble1 );
  void set_ensemble2( DockingEnsembleOP ensemble2 );
    
protected:
  /// @brief Performs the portion of setup of non-primitive members that requires a pose - called on apply
  virtual void finalize_setup( core::pose::Pose & pose); // Comment out by DK

private:
    protocols::docking::ConformerSwitchMoverOP ensemble1_mover_;
  protocols::docking::ConformerSwitchMoverOP ensemble2_mover_;
};

} // docking
} // protocols

#endif