CDPL.Chem.BondProperty Class Reference

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

Inheritance diagram for CDPL.Chem.BondProperty:

Static Public Attributes
	ORDER = CDPL.Base.LookupKey('ORDER')
	Specifies the bond order. More...
	SYBYL_TYPE = CDPL.Base.LookupKey('SYBYL_TYPE')
	Specifies the SYBYL bond type (see namespace Chem.SybylBondType). More...
	RING_FLAG = CDPL.Base.LookupKey('RING_FLAG')
	Specifies whether the bond is a member of any ring. More...
	AROMATICITY_FLAG = CDPL.Base.LookupKey('AROMATICITY_FLAG')
	Specifies whether the bond is a member of an aromatic ring system. More...
	STEREO_DESCRIPTOR = CDPL.Base.LookupKey('STEREO_DESCRIPTOR')
	Specifies the stereochemical descriptor of the bond. More...
	STEREO_CENTER_FLAG = CDPL.Base.LookupKey('STEREO_CENTER_FLAG')
	Specifies whether the bond is a stereogenic center. More...
	CIP_CONFIGURATION = CDPL.Base.LookupKey('CIP_CONFIGURATION')
	Specifies the CIP stereochemical configuration label of the bond (see namespace Chem.CIPDescriptor). More...
	DIRECTION = CDPL.Base.LookupKey('DIRECTION')
	Specifies the bond direction in a 2D depiction of the molecular structure (see namespace Chem.BondDirection). More...
	STEREO_2D_FLAG = CDPL.Base.LookupKey('STEREO_2D_FLAG')
	Specifies the 2D stereo flag of the bond (see namespace Chem.BondStereoFlag). More...
	REACTION_CENTER_STATUS = CDPL.Base.LookupKey('REACTION_CENTER_STATUS')
	Specifies the reaction center status of the bond (see namespace Chem.ReactionCenterStatus). More...
	MATCH_CONSTRAINTS = CDPL.Base.LookupKey('MATCH_CONSTRAINTS')
	Specifies the substructure matching constraints associated with the bond. More...
	MATCH_EXPRESSION = CDPL.Base.LookupKey('MATCH_EXPRESSION')
	Specifies the substructure matching expression associated with the bond. More...
	MATCH_EXPRESSION_STRING = CDPL.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.

Member Data Documentation

ORDER

CDPL.Chem.BondProperty.ORDER = CDPL.Base.LookupKey('ORDER')

static

Specifies the bond order.

Value Type: std::size_t

SYBYL_TYPE

CDPL.Chem.BondProperty.SYBYL_TYPE = CDPL.Base.LookupKey('SYBYL_TYPE')

static

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

Value Type: unsigned int

RING_FLAG

CDPL.Chem.BondProperty.RING_FLAG = CDPL.Base.LookupKey('RING_FLAG')

static

Specifies whether the bond is a member of any ring.

Value Type: bool

AROMATICITY_FLAG

CDPL.Chem.BondProperty.AROMATICITY_FLAG = CDPL.Base.LookupKey('AROMATICITY_FLAG')

static

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

Value Type: bool

STEREO_DESCRIPTOR

CDPL.Chem.BondProperty.STEREO_DESCRIPTOR = CDPL.Base.LookupKey('STEREO_DESCRIPTOR')

static

Specifies the stereochemical descriptor of the bond.

Value Type: Chem.StereoDescriptor

STEREO_CENTER_FLAG

CDPL.Chem.BondProperty.STEREO_CENTER_FLAG = CDPL.Base.LookupKey('STEREO_CENTER_FLAG')

static

Specifies whether the bond is a stereogenic center.

Value Type: bool

CIP_CONFIGURATION

CDPL.Chem.BondProperty.CIP_CONFIGURATION = CDPL.Base.LookupKey('CIP_CONFIGURATION')

static

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

Value Type: unsigned int

DIRECTION

CDPL.Chem.BondProperty.DIRECTION = CDPL.Base.LookupKey('DIRECTION')

static

Specifies the bond direction in a 2D depiction of the molecular structure (see namespace Chem.BondDirection).

Value Type: unsigned int

STEREO_2D_FLAG

CDPL.Chem.BondProperty.STEREO_2D_FLAG = CDPL.Base.LookupKey('STEREO_2D_FLAG')

static

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

Value Type: unsigned int

REACTION_CENTER_STATUS

CDPL.Chem.BondProperty.REACTION_CENTER_STATUS = CDPL.Base.LookupKey('REACTION_CENTER_STATUS')

static

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

Value Type: unsigned int

MATCH_CONSTRAINTS

CDPL.Chem.BondProperty.MATCH_CONSTRAINTS = CDPL.Base.LookupKey('MATCH_CONSTRAINTS')

static

Specifies the substructure matching constraints associated with the bond.

Value Type: Chem.MatchConstraintList.SharedPointer

MATCH_EXPRESSION

CDPL.Chem.BondProperty.MATCH_EXPRESSION = CDPL.Base.LookupKey('MATCH_EXPRESSION')

static

Specifies the substructure matching expression associated with the bond.

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

MATCH_EXPRESSION_STRING

CDPL.Chem.BondProperty.MATCH_EXPRESSION_STRING = CDPL.Base.LookupKey('MATCH_EXPRESSION_STRING')

static

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

Value Type: std::string