RotamerSetFactory.cc

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file   core/pack/rotamer_set/RotamerSetFactory.hh
/// @brief  Residue Set Factory class
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)

// Unit header
#include <core/pack/rotamer_set/RotamerSetFactory.hh>

// Package headers
#include <core/pack/rotamer_set/RotamerSet_.hh>
#include <core/pack/rotamer_set/symmetry/SymmetricRotamerSet_.hh>
//#include <core/pack/rotamer_set/NucleicAcidRotamerSet.hh>

// Project headers
#include <core/conformation/Residue.hh>

// for symmetry
#include <basic/options/option.hh>
#include <basic/options/keys/symmetry.OptionKeys.gen.hh>

#include <utility/exit.hh>

// STL Headers
#include <iostream>

#include <utility/vector1.hh>


namespace core {
namespace pack {
namespace rotamer_set {

RotamerSetFactory::~RotamerSetFactory() {}

RotamerSetOP
RotamerSetFactory::create_rotamer_set( conformation::Residue const & res )
{

  if ( basic::options::option[ basic::options::OptionKeys::symmetry::symmetry_definition ].user() )
  {
    if ( res.is_protein() ) // This check will be removed when we get rotamers for NAs and Ligands online
    {
      return new symmetry::SymmetricRotamerSet_();
    }
    else
    {
      //std::cout << "[ WARNING ] PB HACK -- SHOULD DIE HERE!" << std::endl; // seems OK?
      return new symmetry::SymmetricRotamerSet_();
      //utility_exit_with_message( "Error in RotamerSetFactory, unsupported packing object" ); // get backtrace in gdb
      //exit(1); // add grace
      //return new AminoAcidRotamerSet(); // appease compiler
    }
  }

  if ( res.is_protein() ) // This check will be removed when we get rotamers for NAs and Ligands online
  {
    return new RotamerSet_();
  }
  else
  {
    //std::cout << "[ WARNING ] PB HACK -- SHOULD DIE HERE!" << std::endl; // seems OK?
    return new RotamerSet_();
    //utility_exit_with_message( "Error in RotamerSetFactory, unsupported packing object" ); // get backtrace in gdb
    //exit(1); // add grace
    //return new AminoAcidRotamerSet(); // appease compiler
  }
}

}
}
}