AtomConfiguration.hpp

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/* 
 * AtomConfiguration.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_ATOMCONFIGURATION_HPP
#define CDPL_CHEM_ATOMCONFIGURATION_HPP
 
 
namespace CDPL
{
 
    namespace Chem
    {
 
        namespace AtomConfiguration
        {
 
            const unsigned int UNDEF  = 0;
 
            const unsigned int NONE   = 0x1;
 
            const unsigned int R      = 0x2;
 
            const unsigned int S      = 0x4;
 
            const unsigned int EITHER = 0x8;
 
            const unsigned int SP     = 16;
 
            const unsigned int TB     = SP + 4;
 
            const unsigned int OH     = TB + 21;
            
        } // namespace AtomConfiguration
    } // namespace Chem
} // namespace CDPL
 
#endif // CDPL_CHEM_ATOMCONFIGURATION_HPP