29 #ifndef CDPL_CHEM_BONDPROPERTY_HPP
30 #define CDPL_CHEM_BONDPROPERTY_HPP
50 namespace BondProperty
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.