WorkUnit_BatchRelax.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.
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/// @file protocols/realx/WorkUnit_BatchRelax.hh
/// @brief
/// @author Mike Tyka

#ifndef INCLUDED_protocols_relax_WorkUnit_BatchRelax_hh
#define INCLUDED_protocols_relax_WorkUnit_BatchRelax_hh

#include <protocols/wum/WorkUnitBase.hh>
#include <core/pose/Pose.hh>

#include <utility/vector1.hh>

namespace protocols {
namespace relax {



class WorkUnit_BatchRelax;
typedef utility::pointer::owning_ptr< WorkUnit_BatchRelax > WorkUnit_BatchRelaxOP;
typedef utility::pointer::owning_ptr< WorkUnit_BatchRelax const > WorkUnit_BatchRelaxCOP;

class WorkUnit_BatchRelax : public protocols::wum::WorkUnit_SilentStructStore {
public:
  WorkUnit_BatchRelax();
  ~WorkUnit_BatchRelax();

  // @brief Run the workunit - overloaded by children of this class
  virtual void run();

  // @brief Hook for post processing such as rescoring etc.
  virtual void pre_process();

  // @brief Hook for post processing such as rescoring etc.
  virtual void post_process();

  virtual protocols::wum::WorkUnitBaseOP clone() const;

  void
  set_native_pose( core::pose::PoseCOP native_pose);

  protected:

    core::pose::PoseCOP native_pose_;
    core::scoring::ScoreFunctionOP scorefxn_;
  private:
};


class WorkUnit_BatchRelax_and_PostRescore : public WorkUnit_BatchRelax{
public:
  WorkUnit_BatchRelax_and_PostRescore();
  ~WorkUnit_BatchRelax_and_PostRescore();

  virtual protocols::wum::WorkUnitBaseOP clone() const;

  void set_defaults();

  // @brief Hook for post processing such as rescoring etc.
  virtual void pre_process();

  // @brief Hook for post processing such as rescoring etc.
  virtual void post_process();

  // @brief Hook for post processing such as rescoring etc.
  virtual void rescore_all_decoys();

  protected:

  void trim();

  private:

  core::Real trim_proportion_;
  core::pose::Pose ref_pose_ ;
};




}
}

#endif