Chemical Data Processing Library C++ API - Version 1.0.0
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CDPL
Chem
MDLParity.hpp
Go to the documentation of this file.
1
/*
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* MDLParity.hpp
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*
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* This file is part of the Chemical Data Processing Toolkit
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*
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* Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
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*
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* This library is free software; you can redistribute it and/or
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* modify it under the terms of the GNU Lesser General Public
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* License as published by the Free Software Foundation; either
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* version 2 of the License, or (at your option) any later version.
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*
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* This library is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
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* Lesser General Public License for more details.
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*
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* You should have received a copy of the GNU Lesser General Public License
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* along with this library; see the file COPYING. If not, write to
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* the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
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* Boston, MA 02111-1307, USA.
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*/
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#ifndef CDPL_CHEM_MDLPARITY_HPP
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#define CDPL_CHEM_MDLPARITY_HPP
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namespace
CDPL
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{
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namespace
Chem
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{
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namespace
MDLParity
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{
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const
unsigned
int
UNDEF
= 0;
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53
const
unsigned
int
NONE
= 0x1;
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const
unsigned
int
ODD
= 0x2;
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63
const
unsigned
int
EVEN
= 0x4;
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const
unsigned
int
EITHER
= 0x8;
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}
// namespace MDLParity
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}
// namespace Chem
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}
// namespace CDPL
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#endif // CDPL_CHEM_MDLPARITY_HPP
CDPL::Chem::MDLParity::EVEN
const unsigned int EVEN
Specifies that the atom has an even parity.
Definition:
MDLParity.hpp:63
CDPL::Chem::MDLParity::EITHER
const unsigned int EITHER
Specifies that the atom is a stereogenic center but has no defined parity.
Definition:
MDLParity.hpp:68
CDPL::Chem::MDLParity::ODD
const unsigned int ODD
Specifies that the atom has an odd parity.
Definition:
MDLParity.hpp:58
CDPL::Chem::MDLParity::UNDEF
const unsigned int UNDEF
Specifies that the parity of the atom is undefined.
Definition:
MDLParity.hpp:48
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::MDLParity::NONE
const unsigned int NONE
Specifies that the atom is not a stereogenic center and thus has no defined parity.
Definition:
MDLParity.hpp:53
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