Chemical Data Processing Library C++ API - Version 1.4.0
Chem/BondProperty.hpp
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1 /*
2  * BondProperty.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_BONDPROPERTY_HPP
30 #define CDPL_CHEM_BONDPROPERTY_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 BondProperty
51  {
52 
58  extern CDPL_CHEM_API const Base::LookupKey ORDER;
59 
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129 
136 
143  } // namespace BondProperty
144  } // namespace Chem
145 } // namespace CDPL
146 
147 #endif // CDPL_CHEM_BONDPROPERTY_HPP
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Unique lookup key for control-parameter and property values.
Definition: LookupKey.hpp:54
CDPL_CHEM_API const Base::LookupKey AROMATICITY_FLAG
Specifies whether the bond is a member of an aromatic ring system.
CDPL_CHEM_API const Base::LookupKey STEREO_DESCRIPTOR
Specifies the stereochemical descriptor of the bond.
CDPL_CHEM_API const Base::LookupKey STEREO_2D_FLAG
Specifies the 2D stereo flag of the bond (see namespace Chem::BondStereoFlag).
CDPL_CHEM_API const Base::LookupKey SYBYL_TYPE
Specifies the SYBYL bond type (see namespace Chem::SybylBondType).
CDPL_CHEM_API const Base::LookupKey MATCH_EXPRESSION_STRING
Specifies a string representation of the substructure matching expression associated with the bond.
CDPL_CHEM_API const Base::LookupKey CIP_CONFIGURATION
Specifies the CIP stereochemical configuration label of the bond (see namespace Chem::CIPDescriptor).
CDPL_CHEM_API const Base::LookupKey DIRECTION
Specifies the bond direction in SMILES and SMARTS strings (see [SMILES, SMARTS], namespace Chem::Bond...
CDPL_CHEM_API const Base::LookupKey RING_FLAG
Specifies whether the bond is a member of any ring.
CDPL_CHEM_API const Base::LookupKey STEREO_CENTER_FLAG
Specifies whether the bond is a stereogenic center.
CDPL_CHEM_API const Base::LookupKey REACTION_CENTER_STATUS
Specifies the reaction center status of the bond (see namespace Chem::ReactionCenterStatus).
CDPL_CHEM_API const Base::LookupKey ORDER
Specifies the bond order.
CDPL_CHEM_API const Base::LookupKey MATCH_EXPRESSION
Specifies the substructure matching expression associated with the bond.
CDPL_CHEM_API const Base::LookupKey MATCH_CONSTRAINTS
Specifies the substructure matching constraints associated with the bond.
The namespace of the Chemical Data Processing Library.