SingleMotif.cc

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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 protocols/motifs/Motif.cc
/// @brief Implementation of interaction motifs

// AUTO-REMOVED #include <core/pose/Pose.hh>
// AUTO-REMOVED #include <core/pose/PDBInfo.hh>
#include <core/conformation/Atom.hh>
#include <core/conformation/Residue.hh>
// AUTO-REMOVED #include <core/graph/Graph.hh>

#include <core/chemical/ResidueType.hh>

#include <core/kinematics/Jump.hh>

#include <basic/Tracer.hh>

// AUTO-REMOVED #include <core/scoring/ScoreFunction.hh>
// AUTO-REMOVED #include <core/scoring/ScoreType.hh>

// AUTO-REMOVED #include <core/pack/packer_neighbors.hh>
// AUTO-REMOVED #include <core/pack/task/PackerTask.hh>
// AUTO-REMOVED #include <core/pack/task/TaskFactory.hh>

// AUTO-REMOVED #include <core/pack/rotamer_set/RotamerSet.hh>
// AUTO-REMOVED #include <core/pack/rotamer_set/RotamerSetFactory.hh>

#include <protocols/motifs/SingleMotif.hh>

// AUTO-REMOVED #include <utility/string_util.hh>
// AUTO-REMOVED #include <utility/tools/make_vector1.hh>
// AUTO-REMOVED #include <utility/tools/make_map.hh>
#include <sstream>

#include <utility/vector1.hh>


namespace protocols {
namespace motifs {

static basic::Tracer mt( "protocols.motifs.Motif", basic::t_info );

SingleMotif::SingleMotif(
  std::string const resname1,
  std::string const res1_atom1,
  std::string const res1_atom2,
  std::string const res1_atom3,
  std::string const resname2,
  std::string const res2_atom1,
  std::string const res2_atom2,
  std::string const res2_atom3,
  core::kinematics::Jump const & orientation
) : Motif(
      resname1,
      res1_atom1,
      res1_atom2,
      res1_atom3,
      resname2,
      res2_atom1,
      res2_atom2,
      res2_atom3,
      orientation
    )
{}

SingleMotif::SingleMotif(
  core::pose::Pose const & pose,
  Size const residue_position_1,
  char const chain1,
  std::string const res1_atom1_name,
  std::string const res1_atom2_name,
  std::string const res1_atom3_name,
  Size const residue_position_2,
  char const chain2,
  std::string const res2_atom1_name,
  std::string const res2_atom2_name,
  std::string const res2_atom3_name
) : Motif(
      pose,
      residue_position_1,
      chain1,
      res1_atom1_name,
      res1_atom2_name,
      res1_atom3_name,
      residue_position_2,
      chain2,
      res2_atom1_name,
      res2_atom2_name,
      res2_atom3_name
    )
{}

SingleMotif::SingleMotif(
  core::pose::Pose const & pose,
  Size const residue_position_1,
  std::string const res1_atom1_name,
  std::string const res1_atom2_name,
  std::string const res1_atom3_name,
  Size const residue_position_2,
  std::string const res2_atom1_name,
  std::string const res2_atom2_name,
  std::string const res2_atom3_name
) : Motif(
      pose,
      residue_position_1,
      res1_atom1_name,
      res1_atom2_name,
      res1_atom3_name,
      residue_position_2,
      res2_atom1_name,
      res2_atom2_name,
      res2_atom3_name
    )
{}

SingleMotif::SingleMotif(
  core::conformation::Residue const & res1,
  core::conformation::Residue const & res2
) : Motif(
      res1,
      res2
    )
{}

SingleMotif::SingleMotif(
    SingleMotif const & src
) : Motif(
      src
    )
{}

// SingleMotif constructor for ligands
SingleMotif::SingleMotif(
  std::string const resname1,
  std::string const res1_atom1,
  std::string const res1_atom2,
  std::string const res1_atom3,
  std::string const res2_atom1,
  std::string const res2_atom2,
  std::string const res2_atom3,
  core::kinematics::Jump const & orientation
) : Motif(
      resname1,
      res1_atom1,
      res1_atom2,
      res1_atom3,
      res2_atom1,
      res2_atom2,
      res2_atom3,
      orientation
    )
{}

std::ostream & operator <<(
  std::ostream & os,
  const SingleMotif & motif
)
{
  os << motif.print();
  return os;
}

}
}