Chemical Data Processing Library C++ API - Version 1.1.1
CDPL
ForceField
ForceField/AtomProperty.hpp
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/*
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* AtomProperty.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_FORCEFIELD_ATOMPROPERTY_HPP
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#define CDPL_FORCEFIELD_ATOMPROPERTY_HPP
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#include "
CDPL/ForceField/APIPrefix.hpp
"
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namespace
CDPL
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{
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namespace
Base
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{
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class
LookupKey;
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}
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namespace
ForceField
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{
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namespace
AtomProperty
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{
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extern
CDPL_FORCEFIELD_API
const
Base::LookupKey
MMFF94_SYMBOLIC_TYPE
;
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extern
CDPL_FORCEFIELD_API
const
Base::LookupKey
MMFF94_NUMERIC_TYPE
;
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extern
CDPL_FORCEFIELD_API
const
Base::LookupKey
MMFF94_CHARGE
;
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extern
CDPL_FORCEFIELD_API
const
Base::LookupKey
UFF_TYPE
;
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}
// namespace AtomProperty
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}
// namespace ForceField
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}
// namespace CDPL
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#endif // CDPL_FORCEFIELD_ATOMPROPERTY_HPP
APIPrefix.hpp
Definition of the preprocessor macro CDPL_FORCEFIELD_API.
CDPL::Base::LookupKey
An unique lookup key for control-parameter and property values.
Definition:
LookupKey.hpp:54
CDPL::ForceField::AtomProperty::MMFF94_CHARGE
CDPL_FORCEFIELD_API const Base::LookupKey MMFF94_CHARGE
CDPL::ForceField::AtomProperty::MMFF94_NUMERIC_TYPE
CDPL_FORCEFIELD_API const Base::LookupKey MMFF94_NUMERIC_TYPE
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::ForceField::AtomProperty::MMFF94_SYMBOLIC_TYPE
CDPL_FORCEFIELD_API const Base::LookupKey MMFF94_SYMBOLIC_TYPE
CDPL_FORCEFIELD_API
#define CDPL_FORCEFIELD_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::ForceField::AtomProperty::UFF_TYPE
CDPL_FORCEFIELD_API const Base::LookupKey UFF_TYPE
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