Chemical Data Processing Library C++ API - Version 1.1.1
Chem/AtomProperty.hpp
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1 /*
2  * AtomProperty.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_ATOMPROPERTY_HPP
30 #define CDPL_CHEM_ATOMPROPERTY_HPP
31 
32 #include "CDPL/Chem/APIPrefix.hpp"
33 
34 
35 namespace CDPL
36 {
37 
38  namespace Base
39  {
40 
41  class LookupKey;
42  }
43 
44  namespace Chem
45  {
46 
50  namespace AtomProperty
51  {
52 
53  extern CDPL_CHEM_API const Base::LookupKey NAME;
55  extern CDPL_CHEM_API const Base::LookupKey TYPE;
56 
61 
64 
66 
68 
71 
76 
82 
90 
93 
97 
99  } // namespace AtomProperty
100  } // namespace Chem
101 } // namespace CDPL
102 
103 #endif // CDPL_CHEM_ATOMPROPERTY_HPP
CDPL::Chem::AtomProperty::STEREO_CENTER_FLAG
CDPL_CHEM_API const Base::LookupKey STEREO_CENTER_FLAG
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL::Chem::AtomProperty::NAME
CDPL_CHEM_API const Base::LookupKey NAME
CDPL::Chem::AtomProperty::MDL_PARITY
CDPL_CHEM_API const Base::LookupKey MDL_PARITY
CDPL::Chem::AtomProperty::SYMMETRY_CLASS
CDPL_CHEM_API const Base::LookupKey SYMMETRY_CLASS
CDPL::Chem::AtomProperty::COMPONENT_GROUP_ID
CDPL_CHEM_API const Base::LookupKey COMPONENT_GROUP_ID
CDPL::Chem::AtomProperty::SYBYL_TYPE
CDPL_CHEM_API const Base::LookupKey SYBYL_TYPE
CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_NAME
CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_NAME
CDPL::Chem::AtomProperty::MATCH_CONSTRAINTS
CDPL_CHEM_API const Base::LookupKey MATCH_CONSTRAINTS
CDPL_CHEM_API
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Chem::AtomProperty::CIP_PRIORITY
CDPL_CHEM_API const Base::LookupKey CIP_PRIORITY
CDPL::Chem::AtomProperty::COORDINATES_2D
CDPL_CHEM_API const Base::LookupKey COORDINATES_2D
CDPL::Chem::AtomProperty::RING_FLAG
CDPL_CHEM_API const Base::LookupKey RING_FLAG
CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_CHAIN
CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_CHAIN
CDPL::Base::LookupKey
An unique lookup key for control-parameter and property values.
Definition: LookupKey.hpp:54
CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_ID
CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_ID
CDPL::Chem::AtomProperty::CIP_CONFIGURATION
CDPL_CHEM_API const Base::LookupKey CIP_CONFIGURATION
CDPL::Chem::AtomProperty::HYBRIDIZATION
CDPL_CHEM_API const Base::LookupKey HYBRIDIZATION
CDPL::Chem::AtomProperty::TYPE
CDPL_CHEM_API const Base::LookupKey TYPE
CDPL::Chem::AtomProperty::ATOM_MAPPING_ID
CDPL_CHEM_API const Base::LookupKey ATOM_MAPPING_ID
CDPL::Chem::AtomProperty::MOL2_CHARGE
CDPL_CHEM_API const Base::LookupKey MOL2_CHARGE
CDPL::Chem::AtomProperty::MDL_DB_STEREO_CARE_FLAG
CDPL_CHEM_API const Base::LookupKey MDL_DB_STEREO_CARE_FLAG
CDPL::Chem::AtomProperty::RADICAL_TYPE
CDPL_CHEM_API const Base::LookupKey RADICAL_TYPE
CDPL::Chem::AtomProperty::STEREO_DESCRIPTOR
CDPL_CHEM_API const Base::LookupKey STEREO_DESCRIPTOR
CDPL::Chem::AtomProperty::FORMAL_CHARGE
CDPL_CHEM_API const Base::LookupKey FORMAL_CHARGE
CDPL::Chem::AtomProperty::ISOTOPE
CDPL_CHEM_API const Base::LookupKey ISOTOPE
CDPL::Chem::AtomProperty::MORGAN_NUMBER
CDPL_CHEM_API const Base::LookupKey MORGAN_NUMBER
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::AtomProperty::MOL2_SUBSTRUCTURE_SUBTYPE
CDPL_CHEM_API const Base::LookupKey MOL2_SUBSTRUCTURE_SUBTYPE
CDPL::Chem::AtomProperty::CANONICAL_NUMBER
CDPL_CHEM_API const Base::LookupKey CANONICAL_NUMBER
CDPL::Chem::AtomProperty::AROMATICITY_FLAG
CDPL_CHEM_API const Base::LookupKey AROMATICITY_FLAG
CDPL::Chem::AtomProperty::IMPLICIT_HYDROGEN_COUNT
CDPL_CHEM_API const Base::LookupKey IMPLICIT_HYDROGEN_COUNT
CDPL::Chem::AtomProperty::SYMBOL
CDPL_CHEM_API const Base::LookupKey SYMBOL
CDPL::Chem::AtomProperty::MATCH_EXPRESSION_STRING
CDPL_CHEM_API const Base::LookupKey MATCH_EXPRESSION_STRING
CDPL::Chem::AtomProperty::REACTION_CENTER_STATUS
CDPL_CHEM_API const Base::LookupKey REACTION_CENTER_STATUS
CDPL::Chem::AtomProperty::MOL2_NAME
CDPL_CHEM_API const Base::LookupKey MOL2_NAME
CDPL::Chem::AtomProperty::COORDINATES_3D_ARRAY
CDPL_CHEM_API const Base::LookupKey COORDINATES_3D_ARRAY
CDPL::Chem::AtomProperty::UNPAIRED_ELECTRON_COUNT
CDPL_CHEM_API const Base::LookupKey UNPAIRED_ELECTRON_COUNT
CDPL::Chem::AtomProperty::MATCH_EXPRESSION
CDPL_CHEM_API const Base::LookupKey MATCH_EXPRESSION