Chemical Data Processing Library C++ API - Version 1.1.1
Chem/MolecularGraphProperty.hpp
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1 /*
2  * MolecularGraphProperty.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_MOLECULARGRAPHPROPERTY_HPP
30 #define CDPL_CHEM_MOLECULARGRAPHPROPERTY_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 MolecularGraphProperty
51  {
52 
53  extern CDPL_CHEM_API const Base::LookupKey NAME;
56 
58  extern CDPL_CHEM_API const Base::LookupKey RINGS;
59  extern CDPL_CHEM_API const Base::LookupKey SSSR;
63 
67 
70 
72 
75 
77 
79 
89 
92  } // namespace MolecularGraphProperty
93  } // namespace Chem
94 } // namespace CDPL
95 
96 #endif // CDPL_CHEM_MOLECULARGRAPHPROPERTY_HPP
CDPL::Chem::MolecularGraphProperty::MDL_USER_INITIALS
CDPL_CHEM_API const Base::LookupKey MDL_USER_INITIALS
CDPL::Chem::MolecularGraphProperty::STOICHIOMETRIC_NUMBER
CDPL_CHEM_API const Base::LookupKey STOICHIOMETRIC_NUMBER
CDPL::Chem::MolecularGraphProperty::MDL_CHIRAL_FLAG
CDPL_CHEM_API const Base::LookupKey MDL_CHIRAL_FLAG
APIPrefix.hpp
Definition of the preprocessor macro CDPL_CHEM_API.
CDPL::Chem::MolecularGraphProperty::COMMENT
CDPL_CHEM_API const Base::LookupKey COMMENT
CDPL::Chem::MolecularGraphProperty::CONFORMER_ENERGIES
CDPL_CHEM_API const Base::LookupKey CONFORMER_ENERGIES
CDPL::Chem::MolecularGraphProperty::MOL2_MOLECULE_TYPE
CDPL_CHEM_API const Base::LookupKey MOL2_MOLECULE_TYPE
CDPL_CHEM_API
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
CDPL::Chem::MolecularGraphProperty::AROMATIC_SUBSTRUCTURE
CDPL_CHEM_API const Base::LookupKey AROMATIC_SUBSTRUCTURE
CDPL::Chem::MolecularGraphProperty::MOL2_CHARGE_TYPE
CDPL_CHEM_API const Base::LookupKey MOL2_CHARGE_TYPE
CDPL::Chem::MolecularGraphProperty::MDL_SCALING_FACTOR2
CDPL_CHEM_API const Base::LookupKey MDL_SCALING_FACTOR2
CDPL::Chem::MolecularGraphProperty::TOPOLOGICAL_DISTANCE_MATRIX
CDPL_CHEM_API const Base::LookupKey TOPOLOGICAL_DISTANCE_MATRIX
CDPL::Chem::MolecularGraphProperty::MDL_PROGRAM_NAME
CDPL_CHEM_API const Base::LookupKey MDL_PROGRAM_NAME
CDPL::Chem::MolecularGraphProperty::PI_ELECTRON_SYSTEMS
CDPL_CHEM_API const Base::LookupKey PI_ELECTRON_SYSTEMS
CDPL::Chem::MolecularGraphProperty::CONFORMATION_INDEX
CDPL_CHEM_API const Base::LookupKey CONFORMATION_INDEX
CDPL::Base::LookupKey
An unique lookup key for control-parameter and property values.
Definition: LookupKey.hpp:54
CDPL::Chem::MolecularGraphProperty::MATCH_EXPRESSION
CDPL_CHEM_API const Base::LookupKey MATCH_EXPRESSION
CDPL::Chem::MolecularGraphProperty::STRUCTURE_DATA
CDPL_CHEM_API const Base::LookupKey STRUCTURE_DATA
CDPL::Chem::MolecularGraphProperty::MDL_REGISTRY_NUMBER
CDPL_CHEM_API const Base::LookupKey MDL_REGISTRY_NUMBER
CDPL::Chem::MolecularGraphProperty::MDL_ENERGY
CDPL_CHEM_API const Base::LookupKey MDL_ENERGY
CDPL::Chem::MolecularGraphProperty::TIMESTAMP
CDPL_CHEM_API const Base::LookupKey TIMESTAMP
CDPL::Chem::MolecularGraphProperty::COMPONENTS
CDPL_CHEM_API const Base::LookupKey COMPONENTS
CDPL::Chem::MolecularGraphProperty::MDL_CTAB_VERSION
CDPL_CHEM_API const Base::LookupKey MDL_CTAB_VERSION
CDPL::Chem::MolecularGraphProperty::SSSR
CDPL_CHEM_API const Base::LookupKey SSSR
CDPL::Chem::MolecularGraphProperty::RINGS
CDPL_CHEM_API const Base::LookupKey RINGS
CDPL
The namespace of the Chemical Data Processing Library.
CDPL::Chem::MolecularGraphProperty::MATCH_CONSTRAINTS
CDPL_CHEM_API const Base::LookupKey MATCH_CONSTRAINTS
CDPL::Chem::MolecularGraphProperty::GEOMETRICAL_DISTANCE_MATRIX
CDPL_CHEM_API const Base::LookupKey GEOMETRICAL_DISTANCE_MATRIX
CDPL::Chem::MolecularGraphProperty::MDL_DIMENSIONALITY
CDPL_CHEM_API const Base::LookupKey MDL_DIMENSIONALITY
CDPL::Chem::MolecularGraphProperty::HASH_CODE
CDPL_CHEM_API const Base::LookupKey HASH_CODE
CDPL::Chem::MolecularGraphProperty::COMPONENT_GROUPS
CDPL_CHEM_API const Base::LookupKey COMPONENT_GROUPS
CDPL::Chem::MolecularGraphProperty::MDL_SCALING_FACTOR1
CDPL_CHEM_API const Base::LookupKey MDL_SCALING_FACTOR1
CDPL::Chem::MolecularGraphProperty::NAME
CDPL_CHEM_API const Base::LookupKey NAME
CDPL::Chem::MolecularGraphProperty::CYCLIC_SUBSTRUCTURE
CDPL_CHEM_API const Base::LookupKey CYCLIC_SUBSTRUCTURE