Chem/AtomProperty.hpp

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/* 
 * AtomProperty.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_ATOMPROPERTY_HPP
#define CDPL_CHEM_ATOMPROPERTY_HPP
 
#include "CDPL/Chem/APIPrefix.hpp"
 
 
namespace CDPL
{
 
    namespace Base
    {
 
        class LookupKey;
    }
 
    namespace Chem
    {
 
        namespace AtomProperty
        {
 
            extern CDPL_CHEM_API const Base::LookupKey NAME;
            extern CDPL_CHEM_API const Base::LookupKey SYMBOL;
            extern CDPL_CHEM_API const Base::LookupKey TYPE;
 
            extern CDPL_CHEM_API const Base::LookupKey FORMAL_CHARGE;
            extern CDPL_CHEM_API const Base::LookupKey ISOTOPE;
            extern CDPL_CHEM_API const Base::LookupKey RADICAL_TYPE;
            extern CDPL_CHEM_API const Base::LookupKey HYBRIDIZATION;
 
            extern CDPL_CHEM_API const Base::LookupKey RING_FLAG;
            extern CDPL_CHEM_API const Base::LookupKey AROMATICITY_FLAG;
 
            extern CDPL_CHEM_API const Base::LookupKey UNPAIRED_ELECTRON_COUNT;
 
            extern CDPL_CHEM_API const Base::LookupKey IMPLICIT_HYDROGEN_COUNT;
 
            extern CDPL_CHEM_API const Base::LookupKey COORDINATES_2D;
            extern CDPL_CHEM_API const Base::LookupKey COORDINATES_3D_ARRAY;
 
            extern CDPL_CHEM_API const Base::LookupKey MORGAN_NUMBER;
            extern CDPL_CHEM_API const Base::LookupKey CANONICAL_NUMBER;
            extern CDPL_CHEM_API const Base::LookupKey CIP_PRIORITY;
            extern CDPL_CHEM_API const Base::LookupKey SYMMETRY_CLASS;
 
            extern CDPL_CHEM_API const Base::LookupKey STEREO_DESCRIPTOR;
            extern CDPL_CHEM_API const Base::LookupKey STEREO_CENTER_FLAG;
            extern CDPL_CHEM_API const Base::LookupKey CIP_CONFIGURATION;
            extern CDPL_CHEM_API const Base::LookupKey MDL_PARITY;
            extern CDPL_CHEM_API const Base::LookupKey MDL_DB_STEREO_CARE_FLAG;
 
            extern CDPL_CHEM_API const Base::LookupKey SYBYL_TYPE;
            extern CDPL_CHEM_API const Base::LookupKey MOL2_CHARGE;
            extern CDPL_CHEM_API const Base::LookupKey MOL2_NAME;
            extern CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_ID;
            extern CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_NAME;
            extern CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_SUBTYPE;
            extern CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_CHAIN;
 
            extern CDPL_CHEM_API const Base::LookupKey REACTION_CENTER_STATUS;
            extern CDPL_CHEM_API const Base::LookupKey ATOM_MAPPING_ID;
 
            extern CDPL_CHEM_API const Base::LookupKey MATCH_CONSTRAINTS;
            extern CDPL_CHEM_API const Base::LookupKey MATCH_EXPRESSION;
            extern CDPL_CHEM_API const Base::LookupKey MATCH_EXPRESSION_STRING;
 
            extern CDPL_CHEM_API const Base::LookupKey COMPONENT_GROUP_ID;
        } // namespace AtomProperty
    } // namespace Chem
} // namespace CDPL
 
#endif // CDPL_CHEM_ATOMPROPERTY_HPP