CDPL::Chem::BondMatchConstraint Namespace Reference

Provides numerical identifiers for built-in Chem::Bond matching constraints and flags for the specification of bond orders. More...

Variables
constexpr unsigned int	SINGLE = 0x1
	Specifies a single bond. More...
constexpr unsigned int	DOUBLE = 0x2
	Specifies a double bond. More...
constexpr unsigned int	TRIPLE = 0x4
	Specifies a triple bond. More...
constexpr unsigned int	AROMATIC = 0x8
	Specifies an aromatic bond with delocalized electrons. More...
constexpr unsigned int	IGNORE_AROMATICITY = 0x10
	Specifies that the target bond must have the specified order even if the bond is aromatic. More...
constexpr unsigned int	ANY_ORDER = SINGLE | DOUBLE | TRIPLE | AROMATIC
	Specifies a bond of any order. More...
constexpr unsigned int	CONSTRAINT_LIST = 0
	Specifies a constraint which requires the target bond to fulfill additional contraints specified by a Chem::MatchConstraintList object. More...
constexpr unsigned int	ORDER = 1
	Specifies a constraint on the order of the target bond. More...
constexpr unsigned int	AROMATICITY = 2
	Specifies a constraint on the aromaticity of the target bond. More...
constexpr unsigned int	RING_TOPOLOGY = 3
	Specifies a constraint on the ring-membership of the target bond. More...
constexpr unsigned int	CONFIGURATION = 4
	Specifies a constraint on the steric configuration of the target bond. More...
constexpr unsigned int	DIRECTION_CONFIG = 5
	Specifies a constraint on the steric configuration of the target bond that is defined by the relative direction of attached bonds. More...
constexpr unsigned int	DIRECTION = 6
	Specifies a constraint on the relative direction of the target bond. More...
constexpr unsigned int	REACTION_CENTER_STATUS = 7
	Specifies a constraint on the reaction center status of the target bond. More...

Detailed Description

Provides numerical identifiers for built-in Chem::Bond matching constraints and flags for the specification of bond orders.

Variable Documentation

SINGLE

constexpr unsigned int CDPL::Chem::BondMatchConstraint::SINGLE = 0x1

constexpr

Specifies a single bond.

DOUBLE

constexpr unsigned int CDPL::Chem::BondMatchConstraint::DOUBLE = 0x2

constexpr

Specifies a double bond.

TRIPLE

constexpr unsigned int CDPL::Chem::BondMatchConstraint::TRIPLE = 0x4

constexpr

Specifies a triple bond.

AROMATIC

constexpr unsigned int CDPL::Chem::BondMatchConstraint::AROMATIC = 0x8

constexpr

Specifies an aromatic bond with delocalized electrons.

IGNORE_AROMATICITY

constexpr unsigned int CDPL::Chem::BondMatchConstraint::IGNORE_AROMATICITY = 0x10

constexpr

Specifies that the target bond must have the specified order even if the bond is aromatic.

ANY_ORDER

constexpr unsigned int CDPL::Chem::BondMatchConstraint::ANY_ORDER = SINGLE | DOUBLE | TRIPLE | AROMATIC

constexpr

Specifies a bond of any order.

CONSTRAINT_LIST

constexpr unsigned int CDPL::Chem::BondMatchConstraint::CONSTRAINT_LIST = 0

constexpr

Specifies a constraint which requires the target bond to fulfill additional contraints specified by a Chem::MatchConstraintList object.

ORDER

constexpr unsigned int CDPL::Chem::BondMatchConstraint::ORDER = 1

constexpr

Specifies a constraint on the order of the target bond.

AROMATICITY

constexpr unsigned int CDPL::Chem::BondMatchConstraint::AROMATICITY = 2

constexpr

Specifies a constraint on the aromaticity of the target bond.

RING_TOPOLOGY

constexpr unsigned int CDPL::Chem::BondMatchConstraint::RING_TOPOLOGY = 3

constexpr

Specifies a constraint on the ring-membership of the target bond.

CONFIGURATION

constexpr unsigned int CDPL::Chem::BondMatchConstraint::CONFIGURATION = 4

constexpr

Specifies a constraint on the steric configuration of the target bond.

DIRECTION_CONFIG

constexpr unsigned int CDPL::Chem::BondMatchConstraint::DIRECTION_CONFIG = 5

constexpr

Specifies a constraint on the steric configuration of the target bond that is defined by the relative direction of attached bonds.

See also

Chem::BondDirection

DIRECTION

constexpr unsigned int CDPL::Chem::BondMatchConstraint::DIRECTION = 6

constexpr

Specifies a constraint on the relative direction of the target bond.

See also

Chem::BondDirection

REACTION_CENTER_STATUS

constexpr unsigned int CDPL::Chem::BondMatchConstraint::REACTION_CENTER_STATUS = 7

constexpr

Specifies a constraint on the reaction center status of the target bond.

See also

Chem::ReactionCenterStatus