Chemical Data Processing Library C++ API - Version 1.1.1
HybridizationState.hpp
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1 /*
2  * HybridizationState.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_HYBRIDIZATIONSTATE_HPP
30 #define CDPL_CHEM_HYBRIDIZATIONSTATE_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace Chem
37  {
38 
42  namespace HybridizationState
43  {
44 
48  const unsigned int UNKNOWN = 0;
49 
53  const unsigned int SP = 1;
54 
58  const unsigned int SP1 = SP;
59 
63  const unsigned int SP2 = 2;
64 
68  const unsigned int SP3 = 3;
69 
73  const unsigned int DP = 4;
74 
78  const unsigned int SD3 = 5;
79 
83  const unsigned int SP2D = 6;
84 
88  const unsigned int SP3D = 7;
89 
93  const unsigned int SP3D2 = 8;
94 
98  const unsigned int SP3D3 = 9;
99  } // namespace HybridizationState
100  } // namespace Chem
101 } // namespace CDPL
102 
103 #endif // CDPL_CHEM_HYBRIDIZATIONSTATE_HPP
CDPL::Chem::HybridizationState::SP2D
const unsigned int SP2D
Specifies the hybridization state sp2d.
Definition: HybridizationState.hpp:83
CDPL::Chem::HybridizationState::SP1
const unsigned int SP1
Specifies the hybridization state sp1.
Definition: HybridizationState.hpp:58
CDPL::Chem::HybridizationState::SP2
const unsigned int SP2
Specifies the hybridization state sp2.
Definition: HybridizationState.hpp:63
CDPL::Chem::HybridizationState::SP3D3
const unsigned int SP3D3
Specifies the hybridization state sp3d3.
Definition: HybridizationState.hpp:98
CDPL::Chem::HybridizationState::SP3D2
const unsigned int SP3D2
Specifies the hybridization state sp3d2.
Definition: HybridizationState.hpp:93
CDPL::Chem::HybridizationState::SD3
const unsigned int SD3
Specifies the hybridization state sd3.
Definition: HybridizationState.hpp:78
CDPL::Chem::HybridizationState::SP
const unsigned int SP
Specifies the hybridization state sp.
Definition: HybridizationState.hpp:53
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::HybridizationState::UNKNOWN
const unsigned int UNKNOWN
Specifies an unknown hybridization state.
Definition: HybridizationState.hpp:48
CDPL::Chem::HybridizationState::SP3D
const unsigned int SP3D
Specifies the hybridization state sp3d.
Definition: HybridizationState.hpp:88
CDPL::Chem::HybridizationState::SP3
const unsigned int SP3
Specifies the hybridization state sp3.
Definition: HybridizationState.hpp:68
CDPL::Chem::HybridizationState::DP
const unsigned int DP
Specifies the hybridization dp.
Definition: HybridizationState.hpp:73