MinimizeLigand.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   core/pack/task/ResfileReader.hh
/// @brief  header of classes for resfile options
/// @author Gordon Lemmon

#ifndef INCLUDED_protocols_ligand_docking_MinimizeLigand_hh
#define INCLUDED_protocols_ligand_docking_MinimizeLigand_hh

// Unit Headers

// Package Headers
#include <protocols/ligand_docking/ResidueTorsionRestraints.fwd.hh>
#include <protocols/ligand_docking/MinimizeLigand.fwd.hh>
#include <utility/vector1.hh>
//
//// Project Headers
#include <protocols/moves/Mover.hh>

//// Utility Headers
//
//// STL Headers

///////////////////////////////////////////////////////////////////////

namespace protocols {
namespace ligand_docking {

///@brief
class MinimizeLigand : public protocols::moves::Mover
{
public:
  MinimizeLigand();
  MinimizeLigand(char chain, core::Real degrees);
  virtual ~MinimizeLigand();
  MinimizeLigand(MinimizeLigand const & that);

  virtual void apply( core::pose::Pose & pose );

  virtual std::string get_name() const;

  bool operator==(char const & chain) const;

  utility::vector1<protocols::ligand_docking::ResidueTorsionRestraintsOP>::iterator begin();
  utility::vector1<protocols::ligand_docking::ResidueTorsionRestraintsOP>::iterator end();

private:
  char chain_;
  core::Real degrees_; // Size of one standard deviation
  utility::vector1< protocols::ligand_docking::ResidueTorsionRestraintsOP > ligand_torsion_restraints_;
};

} //namespace ligand_docking
} //namespace protocols

#endif