MiniPose.hh

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/// @file   core/pose/MiniPose.hh
/// @brief  MiniPose class
/// @author Parin Sripakdeevong (sripakpa@stanford.edu), Rhiju Das (rhiju@stanford.edu)


#ifndef INCLUDED_core_pose_MiniPose_HH
#define INCLUDED_core_pose_MiniPose_HH


// type headers
#include <core/pose/MiniPose.fwd.hh>
#include <core/chemical/VariantType.fwd.hh>
#include <core/types.hh>
#include <core/kinematics/FoldTree.hh>
#include <numeric/xyzVector.fwd.hh>
#include <numeric/xyzVector.hh>
#include <core/id/AtomID.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <utility/vector1.hh>

namespace core {
namespace pose {

  /**
     A very simple bag to hold xyz and fold_tree and sequence only. Kind of like a silent struct, but
     not quite (silent_structs don't necessarily have xyz). Kind of like a Conformation but without the
     overtree of an atom_tree.
  **/

  // lightweight version of the pose with stuff I need.
  // Should save memory compared to keeping the full pose (which includes atom_tree, energies etc.)
  // This is a bit like the SilentStruct -- although that class
  // has gotten a bit complicated -- easier to start from scratch.
  class MiniPose : public utility::pointer::ReferenceCount  {

  public:

    MiniPose( core::pose::Pose const & pose );

    MiniPose( utility::vector1< utility::vector1< PointPosition > > const & coords,
              core::kinematics::FoldTree const & fold_tree,
              std::string const & sequence );

    virtual ~MiniPose(); // auto-removing definition from header{};

    core::kinematics::FoldTree const & fold_tree() const;

    utility::vector1< utility::vector1< PointPosition > > const & coords() const;

    utility::vector1< utility::vector1< std::string > > const & atom_names_list() const;

    utility::vector1< utility::vector1< core::chemical::VariantType > > const & variant_types_list() const;

    Size size() const;

    Size total_residue() const;

    std::string const & sequence() const;

    PointPosition const & xyz( core::id::AtomID atom_id ) const;

    std::string const & atom_name( core::id::AtomID atom_id ) const;

    utility::vector1< core::chemical::VariantType > const & variant_types( Size const seq_num) const;

  private: //data

    utility::vector1< utility::vector1< PointPosition > > coords_;
    core::kinematics::FoldTree fold_tree_;
    std::string sequence_;
    utility::vector1< utility::vector1< std::string > > atom_names_list_;
    utility::vector1< utility::vector1< core::chemical::VariantType > > variant_types_list_;

  };


} // namespace pose
} // namespace core


#endif // INCLUDED_core_pose_MiniPose_HH