HBondAcceptorAtomType.hpp

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/* 
 * HBondAcceptorAtomType.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_MOLPROP_HBONDACCEPTORATOMTYPE_HPP
#define CDPL_MOLPROP_HBONDACCEPTORATOMTYPE_HPP
 
 
namespace CDPL
{
 
    namespace MolProp
    {
 
        namespace HBondAcceptorAtomType
        {
 
            const unsigned int UNDEF = 0;
 
            const unsigned int NONE = 1;
 
            const unsigned int O_H2O = 2;
 
            const unsigned int O_UREA = 3;
 
            const unsigned int O_BARBITURIC_ACID = 4;
 
            const unsigned int O_URIC_ACID = 5;
 
            const unsigned int O_ETHER = 6;
 
            const unsigned int O_AMIDE = 7;
 
            const unsigned int O_N_OXIDE = 8;
 
            const unsigned int O_ACID = 9;
 
            const unsigned int O_ESTER = 10;
 
            const unsigned int O_SULFOXIDE = 11;
 
            const unsigned int O_NITRO = 12;
 
            const unsigned int O_SELEN_OXIDE = 13;
 
            const unsigned int O_ALDEHYD = 14;
 
            const unsigned int O_KETONE = 15;
 
            const unsigned int O_ALCOHOL = 16;
 
            const unsigned int N_NH3 = 17;
 
            const unsigned int N_DIAMINE = 18;
 
            const unsigned int N_MONO_DI_NITRO_ANILINE = 19;
 
            const unsigned int N_TRI_NITRO_ANILINE = 20;
 
            const unsigned int N_HALOGENO_ANILINE = 21;
 
            const unsigned int N_ANILINE = 22;
 
            const unsigned int N_NITRILE = 23;
 
            const unsigned int N_AZOLE = 24;
 
            const unsigned int N_AMINE = 25;
 
            const unsigned int N_AMIDINE = 26;
 
            const unsigned int N_AZO = 27;
 
            const unsigned int N_AZINE = 28;
 
            const unsigned int N_DIAZINE = 29;
 
            const unsigned int N_IMINE = 30;
 
            const unsigned int S_SULFIDE = 31;
 
            const unsigned int S_THIOUREA = 32;
 
            const unsigned int P_MONO_DI_PHOSPHINE = 33;
 
            const unsigned int P_TRI_PHOSPHINE = 34;
 
            const unsigned int MAX_TYPE = P_TRI_PHOSPHINE;
 
        } // namespace HBondAcceptorAtomType
    } // namespace MolProp
} // namespace CDPL
 
#endif // CDPL_MOLPROP_HBONDACCEPTORATOMTYPE_HPP