Chem/MolecularGraphPropertyDefault.hpp

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/* 
 * MolecularGraphPropertyDefault.hpp 
 *
 * This file is part of the Chemical Data Processing Toolkit
 *
 * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
 *
 * This library is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public
 * License as published by the Free Software Foundation; either
 * version 2 of the License, or (at your option) any later version.
 *
 * This library is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
 * Lesser General Public License for more details.
 *
 * You should have received a copy of the GNU Lesser General Public License
 * along with this library; see the file COPYING. If not, write to
 * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
 * Boston, MA 02111-1307, USA.
 */
 
#ifndef CDPL_CHEM_MOLECULARGRAPHPROPERTYDEFAULT_HPP
#define CDPL_CHEM_MOLECULARGRAPHPROPERTYDEFAULT_HPP
 
#include <string>
#include <cstddef>
 
#include "CDPL/Chem/APIPrefix.hpp"
#include "CDPL/Chem/MatchConstraintList.hpp"
 
 
namespace CDPL
{
 
    namespace Chem
    {
 
        namespace MolecularGraphPropertyDefault
        {
 
            extern CDPL_CHEM_API const std::string                        NAME;
            extern CDPL_CHEM_API const std::string                        COMMENT;
            extern CDPL_CHEM_API const double                             STOICHIOMETRIC_NUMBER;
            extern CDPL_CHEM_API const MatchConstraintList::SharedPointer MATCH_CONSTRAINTS;
            extern CDPL_CHEM_API const unsigned int                       MDL_CTAB_VERSION;
            extern CDPL_CHEM_API const std::string                        MDL_PROGRAM_NAME;
            extern CDPL_CHEM_API const std::string                        MDL_USER_INITIALS;
            extern CDPL_CHEM_API const std::size_t                        MDL_DIMENSIONALITY;
            extern CDPL_CHEM_API const double                             MDL_ENERGY;
            extern CDPL_CHEM_API const bool                               MDL_CHIRAL_FLAG;
            extern CDPL_CHEM_API const long                               MDL_SCALING_FACTOR1;
            extern CDPL_CHEM_API const double                             MDL_SCALING_FACTOR2;
            extern CDPL_CHEM_API const unsigned int                       MOL2_MOLECULE_TYPE;
            extern CDPL_CHEM_API const unsigned int                       MOL2_CHARGE_TYPE;
        } // namespace MolecularGraphPropertyDefault
    } // namespace Chem
} // namespace CDPL
 
#endif // CDPL_CHEM_MOLECULARGRAPHPROPERTYDEFAULT_HPP