OriginalScaffoldBuildPoint.hh

Go to the documentation of this file.

// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
// :noTabs=false:tabSize=4:indentSize=4:
//
// (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/match/ScaffoldBuildPoint.hh
/// @brief  Class declarations for the launch point geometry on the Scaffold.
/// @author Alex Zanghellini (zanghell@u.washington.edu)
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com), porting to mini

#ifndef INCLUDED_protocols_match_upstream_OriginalScaffoldBuildPoint_hh
#define INCLUDED_protocols_match_upstream_OriginalScaffoldBuildPoint_hh

// Unit headers
#include <protocols/match/upstream/OriginalScaffoldBuildPoint.fwd.hh>

// Package headers
// AUTO-REMOVED #include <protocols/match/Hit.hh>
#include <protocols/match/upstream/ScaffoldBuildPoint.hh>
#include <protocols/match/upstream/UpstreamBuilder.fwd.hh>

// Project headers
#include <core/types.hh>
#include <core/conformation/Residue.fwd.hh>
#include <core/pose/Pose.fwd.hh>

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

// Numeric headers
#include <numeric/xyzVector.hh>

#include <utility/vector1.hh>


namespace protocols {
namespace match {
namespace upstream {


class ProteinBackboneBuildPoint : public ScaffoldBuildPoint
{
public:
  typedef core::Real         Real;
  typedef core::Vector       Vector;
  typedef ScaffoldBuildPoint parent;
public:
  ProteinBackboneBuildPoint();
  ProteinBackboneBuildPoint( Size index );
  virtual ~ProteinBackboneBuildPoint();

  Real phi() const { return phi_; }
  Real psi() const { return psi_; }

  Vector N_pos()  const { return N_pos_; }
  Vector CA_pos() const { return CA_pos_; }
  Vector C_pos()  const { return C_pos_; }
  Vector O_pos()  const { return O_pos_; }

  Vector H_pos() const { return H_pos_; }
  Vector HA_pos() const { return HA_pos_; }

public:
  /// Setters
  void phi( Real setting );
  void psi( Real setting );

  void N_pos( Vector const & setting );
  void CA_pos( Vector const & setting );
  void C_pos( Vector const & setting );
  void O_pos( Vector const & setting );

  void H_pos( Vector const & setting );
  void HA_pos( Vector const & setting );

private:

  Real phi_, psi_;
  Vector N_pos_;
  Vector CA_pos_;
  Vector C_pos_;
  Vector O_pos_;

  Vector H_pos_;
  Vector HA_pos_;

};

class OriginalBackboneBuildPoint : public ProteinBackboneBuildPoint
{
public:
  typedef ProteinBackboneBuildPoint parent;

public:
  OriginalBackboneBuildPoint( Size index );
  ~OriginalBackboneBuildPoint();
  OriginalBackboneBuildPoint( core::conformation::Residue const & res );
  OriginalBackboneBuildPoint( core::conformation::Residue const & res, Size index);

  void
  initialize_from_residue(
    core::conformation::Residue const & res
  );

  virtual
  bool
  compatible( ScaffoldBuildPoint const & other, bool first_dispatch = true ) const;

  virtual
  bool
  compatible( OriginalBackboneBuildPoint const & other, bool first_dispatch = true ) const;

  virtual
  Size
  original_insertion_point() const;

  virtual
  void
  insert(
    Size seqpos_to_insert_at,
    Hit const & hit,
    UpstreamBuilderCOP builder,
    core::pose::Pose & pose
  ) const;

  Size original_resid() const { return original_resid_; }
  //void original_resid( Size setting ) const;

  core::conformation::Residue const &
  input_conformation() const {
    return *input_conformation_;
  }

private:

  Size original_resid_;

  core::conformation::ResidueOP input_conformation_;

};

}
}
}

#endif