Chemical Data Processing Library C++ API - Version 1.1.1
Entity3DFunctions.hpp
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1 /*
2  * Entity3DFunctions.hpp
3  *
4  * This file is part of the Chemical Data Processing Toolkit
5  *
6  * Copyright (C) 2003 Thomas Seidel <thomas.seidel@univie.ac.at>
7  *
8  * This library is free software; you can redistribute it and/or
9  * modify it under the terms of the GNU Lesser General Public
10  * License as published by the Free Software Foundation; either
11  * version 2 of the License, or (at your option) any later version.
12  *
13  * This library is distributed in the hope that it will be useful,
14  * but WITHOUT ANY WARRANTY; without even the implied warranty of
15  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
16  * Lesser General Public License for more details.
17  *
18  * You should have received a copy of the GNU Lesser General Public License
19  * along with this library; see the file COPYING. If not, write to
20  * the Free Software Foundation, Inc., 59 Temple Place - Suite 330,
21  * Boston, MA 02111-1307, USA.
22  */
23 
29 #ifndef CDPL_CHEM_ENTITY3DFUNCTIONS_HPP
30 #define CDPL_CHEM_ENTITY3DFUNCTIONS_HPP
31 
32 #include "CDPL/Chem/APIPrefix.hpp"
33 #include "CDPL/Math/Vector.hpp"
34 
35 
36 namespace CDPL
37 {
38 
39  namespace Chem
40  {
41 
42  class Entity3D;
43 
45 
46  CDPL_CHEM_API void set3DCoordinates(Entity3D& entity, const Math::Vector3D& coords);
47 
49 
51  } // namespace Chem
52 } // namespace CDPL
53 
54 #endif // CDPL_CHEM_ENTITY3DFUNCTIONS_HPP
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL::Chem::set3DCoordinates
CDPL_CHEM_API void set3DCoordinates(Entity3DContainer &cntnr, const Math::Vector3DArray &coords)
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
The namespace of the Chemical Data Processing Library.
CDPL::Chem::has3DCoordinates
CDPL_CHEM_API bool has3DCoordinates(const Entity3D &entity)
CDPL::Chem::Entity3D
Entity3D.
Definition: Entity3D.hpp:46
CDPL::Chem::get3DCoordinates
CDPL_CHEM_API void get3DCoordinates(const AtomContainer &cntnr, Math::Vector3DArray &coords, const Atom3DCoordinatesFunction &coords_func, bool append=false)
CDPL::Chem::clear3DCoordinates
CDPL_CHEM_API void clear3DCoordinates(Entity3D &entity)
Vector.hpp
Definition of vector data types.