Chemical Data Processing Library C++ API - Version 1.1.1
Variables
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

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

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

Specifies a single bond.

◆ DOUBLE

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

Specifies a double bond.

◆ TRIPLE

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

Specifies a triple bond.

◆ AROMATIC

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

Specifies an aromatic bond with delocalized electrons.

◆ IGNORE_AROMATICITY

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

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

◆ ANY_ORDER

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

Specifies a bond of any order.

◆ CONSTRAINT_LIST

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

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

◆ ORDER

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

Specifies a constraint on the order of the target bond.

◆ AROMATICITY

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

Specifies a constraint on the aromaticity of the target bond.

◆ RING_TOPOLOGY

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

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

◆ CONFIGURATION

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

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

◆ DIRECTION_CONFIG

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

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

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

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

See also
Chem::BondDirection

◆ REACTION_CENTER_STATUS

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

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

See also
Chem::ReactionCenterStatus