MOL2ChargeType.hpp

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/* 
 * MOL2ChargeType.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_MOL2CHARGETYPE_HPP
#define CDPL_CHEM_MOL2CHARGETYPE_HPP
 
 
namespace CDPL
{
 
    namespace Chem
    {
 
        namespace MOL2ChargeType
        {
 
            const unsigned int UNKNOWN    = 0;
            const unsigned int NO_CHARGES = 1;
            const unsigned int DEL_RE     = 2;
            const unsigned int GASTEIGER  = 3;
            const unsigned int GAST_HUCK  = 4;
            const unsigned int HUCKEL     = 5;
            const unsigned int PULLMAN    = 6;
            const unsigned int GAUSS80    = 7;
            const unsigned int AMPAC      = 8;
            const unsigned int MULLIKEN   = 9;
            const unsigned int DICT       = 10;
            const unsigned int MMFF94     = 11;
            const unsigned int USER       = 12;
        } // namespace MOL2ChargeType
    } // namespace Chem
} // namespace CDPL
 
#endif // CDPL_CHEM_MOL2CHARGETYPE_HPP