AtomTypeDatabaseIO.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.
// (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   src/core/chemical/AtomTypeDatabaseIO.hh
/// @author Matthew O'Meara

#ifndef INCLUDED_core_chemical_AtomTypeDatabaseIO_hh
#define INCLUDED_core_chemical_AtomTypeDatabaseIO_hh

#include <utility/pointer/ReferenceCount.hh>
#include <core/chemical/ResidueType.fwd.hh>
#include <core/chemical/ResidueDatabaseIO.fwd.hh>
#include <utility/sql_database/DatabaseSessionManager.fwd.hh>
#include <core/chemical/AtomType.fwd.hh>
#include <core/chemical/AtomTypeSet.fwd.hh>

#include <map>

namespace core {
namespace chemical {


class AtomTypeDatabaseIO : public utility::pointer::ReferenceCount {
public:

  AtomTypeDatabaseIO();

  virtual ~AtomTypeDatabaseIO();

public: // store in a database information associated with an atom type set

  ///@brief generate the table schemas and write them to the database
  void
  write_schema_to_db(
    utility::sql_database::sessionOP db_session) const;

private:
  void
  write_atom_types_table_schema(
    utility::sql_database::sessionOP db_session) const;

  void
  write_atom_type_property_values_table_schema(
    utility::sql_database::sessionOP db_session) const;

  void
  write_atom_type_properties_table_schema(
    utility::sql_database::sessionOP db_session) const;

  void
  write_atom_type_extra_parameters_table_schema(
    utility::sql_database::sessionOP db_session) const;


public:
  ///@brief write the schema
  void
  initialize(
    utility::sql_database::sessionOP db_session) const;

  void
  write_atom_type_set_to_database(
    chemical::AtomTypeSet const & atom_type_set,
    utility::sql_database::sessionOP db_session) const;

  utility::vector1<std::string>
  get_all_atom_types_in_database(
    utility::sql_database::sessionOP db_session) const;

private:

  void
  write_atom_type_table(
    std::string const & atom_type_set_name,
    AtomType const & atom_type,
    utility::sql_database::sessionOP db_session) const;

  void
  write_atom_type_properties_table(
    std::string const & atom_type_set_name,
    AtomType const & atom_type,
    utility::sql_database::sessionOP db_session) const;

  void
  write_atom_type_extra_parameters_table(
    AtomTypeSet const & atom_type_set,
    AtomType const & atom_type,
    utility::sql_database::sessionOP db_session) const;

};


} // namespace
} // namespace

#endif // include guard