Chemical Data Processing Library C++ API - Version 1.1.1
CDPL
Chem
Atom3DCoordinatesFunctor.hpp
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/*
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* Atom3DCoordinatesFunctor.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_ATOM3DCOORDINATESFUNCTOR_HPP
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#define CDPL_CHEM_ATOM3DCOORDINATESFUNCTOR_HPP
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#include "
CDPL/Chem/APIPrefix.hpp
"
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#include "
CDPL/Math/Vector.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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class
Atom;
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struct
CDPL_CHEM_API
Atom3DCoordinatesFunctor
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{
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public
:
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const
Math::Vector3D
&
operator()
(
const
Atom
& atom)
const
;
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};
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}
// namespace Chem
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}
// namespace CDPL
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#endif // CDPL_CHEM_ATOM3DCOORDINATESFUNCTOR_HPP
CDPL::Chem::Atom3DCoordinatesFunctor::operator()
const Math::Vector3D & operator()(const Atom &atom) const
Returns the 3D-coordinates of the argument atom.
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL_CHEM_API
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Math::Vector3D
CVector< double, 3 > Vector3D
A bounded 3 element vector holding floating point values of type double.
Definition:
Vector.hpp:1637
CDPL::Chem::Atom
Atom.
Definition:
Atom.hpp:52
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::Atom3DCoordinatesFunctor
Atom3DCoordinatesFunctor.
Definition:
Atom3DCoordinatesFunctor.hpp:48
Vector.hpp
Definition of vector data types.
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