RotamerSetsBase.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file   core/pack/RotamerSet/RotamerSets.hh
/// @brief  RotamerSets base class declaration
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)


#ifndef INCLUDED_core_pack_rotamer_set_RotamerSetsBase_hh
#define INCLUDED_core_pack_rotamer_set_RotamerSetsBase_hh

// Unit Headers
#include <core/pack/rotamer_set/RotamerSetsBase.fwd.hh>

// Package Headers
#include <core/conformation/Residue.fwd.hh>


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

#include <core/types.hh>

namespace core {
namespace pack {
namespace rotamer_set {

class RotamerSetsBase : public utility::pointer::ReferenceCount
{

public:
  RotamerSetsBase();
  virtual ~RotamerSetsBase();

  virtual uint nrotamers() const = 0;
  virtual uint nrotamers_for_moltenres( uint ) const = 0;

  virtual uint total_residue() const = 0;

  virtual uint nmoltenres() const = 0;

  virtual
  uint
  moltenres_2_resid( uint ) const = 0;

  virtual
  uint
  resid_2_moltenres( uint ) const = 0;

  virtual
  uint
  moltenres_for_rotamer( uint ) const = 0;

  virtual
  uint
  res_for_rotamer( uint ) const = 0;

  virtual
  core::conformation::ResidueCOP
  rotamer( uint ) const = 0;

  virtual
  core::conformation::ResidueCOP
  rotamer_for_moltenres( uint moltenres_id, uint rotamerid ) const = 0;

  virtual
  uint
  nrotamer_offset_for_moltenres( uint ) const = 0;

  /// @brief convert rotid in full rotamer enumeration into rotamer id on its source residue
  virtual
  uint
  rotid_on_moltenresidue( uint rotid ) const = 0;

  /// @brief convert moltenres rotid to id in full rotamer enumeration
  virtual
  uint
  moltenres_rotid_2_rotid( uint moltenres, uint moltenresrotid ) const = 0;

};

} // namespace rotamer_set
} // namespace pack
} // namespace core


#endif // INCLUDED_core_pack_RotamerSet_RotamerSetsBase_HH