Chemical Data Processing Library C++ API - Version 1.2.0
Namespaces | Variables
BondMatchConstraint.hpp File Reference

Definition of constants in namespace CDPL::Chem::BondMatchConstraint. More...

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Namespaces

 CDPL
 The namespace of the Chemical Data Processing Library.
 
 CDPL::Chem
 Contains classes and functions related to chemistry.
 
 CDPL::Chem::BondMatchConstraint
 Provides numerical identifiers for built-in Chem::Bond matching constraints and flags for the specification of bond orders.
 

Variables

constexpr unsigned int CDPL::Chem::BondMatchConstraint::SINGLE = 0x1
 Specifies a single bond. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::DOUBLE = 0x2
 Specifies a double bond. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::TRIPLE = 0x4
 Specifies a triple bond. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::AROMATIC = 0x8
 Specifies an aromatic bond with delocalized electrons. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::IGNORE_AROMATICITY = 0x10
 Specifies that the target bond must have the specified order even if the bond is aromatic. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::ANY_ORDER = SINGLE | DOUBLE | TRIPLE | AROMATIC
 Specifies a bond of any order. More...
 
constexpr 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. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::ORDER = 1
 Specifies a constraint on the order of the target bond. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::AROMATICITY = 2
 Specifies a constraint on the aromaticity of the target bond. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::RING_TOPOLOGY = 3
 Specifies a constraint on the ring-membership of the target bond. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::CONFIGURATION = 4
 Specifies a constraint on the steric configuration of the target bond. More...
 
constexpr 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. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::DIRECTION = 6
 Specifies a constraint on the relative direction of the target bond. More...
 
constexpr unsigned int CDPL::Chem::BondMatchConstraint::REACTION_CENTER_STATUS = 7
 Specifies a constraint on the reaction center status of the target bond. More...
 

Detailed Description

Definition of constants in namespace CDPL::Chem::BondMatchConstraint.