CDPL::Chem::BondProperty Namespace Reference

Provides keys for built-in Chem::Bond properties. More...

Variables
CDPL_CHEM_API const Base::LookupKey	ORDER
	Specifies the bond order. More...
CDPL_CHEM_API const Base::LookupKey	RING_FLAG
	Specifies whether the bond is a member of any ring. More...
CDPL_CHEM_API const Base::LookupKey	AROMATICITY_FLAG
	Specifies whether the bond is a member of an aromatic ring system. More...
CDPL_CHEM_API const Base::LookupKey	STEREO_DESCRIPTOR
	Specifies the stereochemical descriptor of the bond. More...
CDPL_CHEM_API const Base::LookupKey	STEREO_CENTER_FLAG
	Specifies whether the bond is a stereogenic center. More...
CDPL_CHEM_API const Base::LookupKey	CIP_CONFIGURATION
	Specifies the CIP stereochemical configuration label of the bond (see namespace Chem::CIPDescriptor). More...
CDPL_CHEM_API const Base::LookupKey	DIRECTION
	Specifies the bond direction in SMILES and SMARTS strings (see [SMILES, SMARTS], namespace Chem::BondDirection). More...
CDPL_CHEM_API const Base::LookupKey	STEREO_2D_FLAG
	Specifies the 2D stereo flag of the bond (see namespace Chem::BondStereoFlag). More...
CDPL_CHEM_API const Base::LookupKey	SYBYL_TYPE
	Specifies the SYBYL bond type (see namespace Chem::SybylBondType). More...
CDPL_CHEM_API const Base::LookupKey	REACTION_CENTER_STATUS
	Specifies the reaction center status of the bond (see namespace Chem::ReactionCenterStatus). More...
CDPL_CHEM_API const Base::LookupKey	MATCH_CONSTRAINTS
	Specifies the substructure matching constraints associated with the bond. More...
CDPL_CHEM_API const Base::LookupKey	MATCH_EXPRESSION
	Specifies the substructure matching expression associated with the bond. More...
CDPL_CHEM_API const Base::LookupKey	MATCH_EXPRESSION_STRING
	Specifies a string representation of the substructure matching expression associated with the bond. More...

Detailed Description

Provides keys for built-in Chem::Bond properties.

Variable Documentation

ORDER

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::ORDER

extern

Specifies the bond order.

Value Type: std::size_t

RING_FLAG

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::RING_FLAG

extern

Specifies whether the bond is a member of any ring.

Value Type: bool

AROMATICITY_FLAG

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::AROMATICITY_FLAG

extern

Specifies whether the bond is a member of an aromatic ring system.

Value Type: bool

STEREO_DESCRIPTOR

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::STEREO_DESCRIPTOR

extern

Specifies the stereochemical descriptor of the bond.

Value Type: Chem::StereoDescriptor

STEREO_CENTER_FLAG

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::STEREO_CENTER_FLAG

extern

Specifies whether the bond is a stereogenic center.

Value Type: bool

CIP_CONFIGURATION

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::CIP_CONFIGURATION

extern

Specifies the CIP stereochemical configuration label of the bond (see namespace Chem::CIPDescriptor).

Value Type: unsigned int

DIRECTION

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::DIRECTION

extern

Specifies the bond direction in SMILES and SMARTS strings (see [SMILES, SMARTS], namespace Chem::BondDirection).

Value Type: unsigned int

STEREO_2D_FLAG

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::STEREO_2D_FLAG

extern

Specifies the 2D stereo flag of the bond (see namespace Chem::BondStereoFlag).

Value Type: unsigned int

SYBYL_TYPE

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::SYBYL_TYPE

extern

Specifies the SYBYL bond type (see namespace Chem::SybylBondType).

Value Type: unsigned int

REACTION_CENTER_STATUS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::REACTION_CENTER_STATUS

extern

Specifies the reaction center status of the bond (see namespace Chem::ReactionCenterStatus).

Value Type: unsigned int

MATCH_CONSTRAINTS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::MATCH_CONSTRAINTS

extern

Specifies the substructure matching constraints associated with the bond.

Value Type: Chem::MatchConstraintList::SharedPointer

MATCH_EXPRESSION

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::MATCH_EXPRESSION

extern

Specifies the substructure matching expression associated with the bond.

Value Type: Chem::MatchExpression<Chem::Bond, Chem::MolecularGraph>::SharedPointer

MATCH_EXPRESSION_STRING

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::BondProperty::MATCH_EXPRESSION_STRING

extern

Specifies a string representation of the substructure matching expression associated with the bond.

Value Type: std::string