Chemical Data Processing Library C++ API - Version 1.1.1
CoordinationGeometry.hpp
Go to the documentation of this file.
1 /*
2  * CoordinationGeometry.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_COORDINATIONGEOMETRY_HPP
30 #define CDPL_MOLPROP_COORDINATIONGEOMETRY_HPP
31 
32 
33 namespace CDPL
34 {
35 
36  namespace MolProp
37  {
38 
42  namespace CoordinationGeometry
43  {
44 
48  const unsigned int UNDEF = 0;
49 
53  const unsigned int NONE = 1;
54 
58  const unsigned int LINEAR = 2;
59 
63  const unsigned int TRIGONAL_PLANAR = 3;
64 
68  const unsigned int TETRAHEDRAL = 4;
69 
73  const unsigned int TRIGONAL_BIPYRAMIDAL = 5;
74 
78  const unsigned int OCTAHEDRAL = 6;
79 
83  const unsigned int PENTAGONAL_BIPYRAMIDAL = 7;
84 
88  const unsigned int SQUARE_ANTIPRISMATIC = 8;
89 
93  const unsigned int BENT = 9;
94 
98  const unsigned int TRIGONAL_PYRAMIDAL = 10;
99 
103  const unsigned int SQUARE_PLANAR = 11;
104 
108  const unsigned int SQUARE_PYRAMIDAL = 12;
109 
113  const unsigned int T_SHAPED = 13;
114 
118  const unsigned int SEESAW = 14;
119 
123  const unsigned int PENTAGONAL_PYRAMIDAL = 15;
124 
128  const unsigned int PENTAGONAL_PLANAR = 16;
129  } // namespace CoordinationGeometry
130  } // namespace MolProp
131 } // namespace CDPL
132 
133 #endif // CDPL_MOLPROP_COORDINATIONGEOMETRY_HPP
CDPL::MolProp::CoordinationGeometry::BENT
const unsigned int BENT
Specifies bent geometry.
Definition: CoordinationGeometry.hpp:93
CDPL::MolProp::CoordinationGeometry::TRIGONAL_BIPYRAMIDAL
const unsigned int TRIGONAL_BIPYRAMIDAL
Specifies trigonal bipyramidal geometry.
Definition: CoordinationGeometry.hpp:73
CDPL::MolProp::CoordinationGeometry::OCTAHEDRAL
const unsigned int OCTAHEDRAL
Specifies octahedral geometry.
Definition: CoordinationGeometry.hpp:78
CDPL::MolProp::CoordinationGeometry::TRIGONAL_PYRAMIDAL
const unsigned int TRIGONAL_PYRAMIDAL
Specifies trigonal pyramidal geometry.
Definition: CoordinationGeometry.hpp:98
CDPL::MolProp::CoordinationGeometry::PENTAGONAL_PYRAMIDAL
const unsigned int PENTAGONAL_PYRAMIDAL
Specifies pentagonal pyramidal geometry.
Definition: CoordinationGeometry.hpp:123
CDPL::MolProp::CoordinationGeometry::TRIGONAL_PLANAR
const unsigned int TRIGONAL_PLANAR
Specifies trigonal planar geometry.
Definition: CoordinationGeometry.hpp:63
CDPL::MolProp::CoordinationGeometry::SQUARE_PYRAMIDAL
const unsigned int SQUARE_PYRAMIDAL
Specifies square pyramidal geometry.
Definition: CoordinationGeometry.hpp:108
CDPL::MolProp::CoordinationGeometry::SQUARE_ANTIPRISMATIC
const unsigned int SQUARE_ANTIPRISMATIC
Specifies square antiprismatic geometry.
Definition: CoordinationGeometry.hpp:88
CDPL::MolProp::CoordinationGeometry::PENTAGONAL_PLANAR
const unsigned int PENTAGONAL_PLANAR
Specifies pentagonal planar geometry.
Definition: CoordinationGeometry.hpp:128
CDPL::MolProp::CoordinationGeometry::T_SHAPED
const unsigned int T_SHAPED
Specifies T-shaped geometry.
Definition: CoordinationGeometry.hpp:113
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::MolProp::CoordinationGeometry::UNDEF
const unsigned int UNDEF
Specifies undefined or unknown geometry.
Definition: CoordinationGeometry.hpp:48
CDPL::MolProp::CoordinationGeometry::NONE
const unsigned int NONE
Specifies that a geometry cannot be assigned due to the lack of enough (>1) defining entities.
Definition: CoordinationGeometry.hpp:53
CDPL::MolProp::CoordinationGeometry::LINEAR
const unsigned int LINEAR
Specifies linear geometry.
Definition: CoordinationGeometry.hpp:58
CDPL::MolProp::CoordinationGeometry::SEESAW
const unsigned int SEESAW
Specifies seesaw geometry.
Definition: CoordinationGeometry.hpp:118
CDPL::MolProp::CoordinationGeometry::SQUARE_PLANAR
const unsigned int SQUARE_PLANAR
Specifies square planar geometry.
Definition: CoordinationGeometry.hpp:103
CDPL::MolProp::CoordinationGeometry::PENTAGONAL_BIPYRAMIDAL
const unsigned int PENTAGONAL_BIPYRAMIDAL
Specifies pentagonal bipyramidal geometry.
Definition: CoordinationGeometry.hpp:83
CDPL::MolProp::CoordinationGeometry::TETRAHEDRAL
const unsigned int TETRAHEDRAL
Specifies tetrahedral geometry.
Definition: CoordinationGeometry.hpp:68