Chemical Data Processing Library C++ API - Version 1.1.1
MassComposition.hpp
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1 /*
2  * MassComposition.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_MOLPROP_MASSCOMPOSITION_HPP
30 #define CDPL_MOLPROP_MASSCOMPOSITION_HPP
31 
33 #include "CDPL/Util/Map.hpp"
34 
35 
36 namespace CDPL
37 {
38 
39  namespace MolProp
40  {
41 
50  class CDPL_MOLPROP_API MassComposition : public Util::Map<unsigned int, double, true>
51  {
52 
53  public:
54  typedef std::shared_ptr<MassComposition> SharedPointer;
55 
56  private:
57  const char* getClassName() const
58  {
59  return "MassComposition";
60  }
61  };
62  } // namespace MolProp
63 } // namespace CDPL
64 
65 #endif // CDPL_MOLPROP_MASSCOMPOSITION_HPP
CDPL::Util::Map
A unique sorted associative container that maps keys to values.
Definition: Map.hpp:96
Map.hpp
Definition of the class CDPL::Util::Map.
CDPL::MolProp::MassComposition
A data type for the storage of mass percent compositions of chemical compounds.
Definition: MassComposition.hpp:51
CDPL
The namespace of the Chemical Data Processing Library.
APIPrefix.hpp
Definition of the preprocessor macro CDPL_MOLPROP_API.
CDPL_MOLPROP_API
#define CDPL_MOLPROP_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::MolProp::MassComposition::SharedPointer
std::shared_ptr< MassComposition > SharedPointer
Definition: MassComposition.hpp:54