residue_io.hh

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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.
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// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
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/// @file   residue_io.hh
/// @author Phil Bradley


#ifndef INCLUDED_core_chemical_residue_io_hh
#define INCLUDED_core_chemical_residue_io_hh

// Project headers
#include <core/chemical/ResidueType.fwd.hh>
#include <core/chemical/AtomTypeSet.fwd.hh>
#include <core/chemical/ElementSet.fwd.hh>
#include <core/chemical/MMAtomTypeSet.fwd.hh>
#include <core/chemical/ResidueTypeSet.fwd.hh>
#include <core/chemical/orbitals/OrbitalTypeSet.fwd.hh>
#include <utility/io/izstream.fwd.hh>

// C++ headers
#include <string>

namespace core {
namespace chemical {

/// @brief virtual constructor for ResidueType objects
ResidueTypeOP
read_topology_file(
  std::string const & filename,
  chemical::AtomTypeSetCAP atom_types,
  chemical::ElementSetCAP elements,
  chemical::MMAtomTypeSetCAP mm_atom_types,
  chemical::orbitals::OrbitalTypeSetCAP orbital_atom_types,
//  chemical::CSDAtomTypeSetCAP csd_atom_types kwk commenting out csd_atom_types until I have a chance to fully implement them.
  chemical::ResidueTypeSetCAP rsd_type_set
);

ResidueTypeOP
read_topology_file(
  utility::io::izstream & istream,
  chemical::AtomTypeSetCAP atom_types,
  chemical::ElementSetCAP elements,
  chemical::MMAtomTypeSetCAP mm_atom_types,
  chemical::orbitals::OrbitalTypeSetCAP orbital_atom_types,
//  chemical::CSDAtomTypeSetCAP csd_atom_types kwk commenting out csd_atom_types until I have a chance to fully implement them.
  chemical::ResidueTypeSetCAP rsd_type_set
);

/// @brief writes a .params file from a given ResidueType object
void
write_topology_file(
  ResidueType const & rsd
);

} // chemical
} // core

#endif