Chemical Data Processing Library C++ API - Version 1.1.1
Namespaces | Variables
AtomMatchConstraint.hpp File Reference

Definition of constants in namespace CDPL::Chem::AtomMatchConstraint. 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::AtomMatchConstraint
 Provides numerical identifiers for built-in Chem::Atom matching constraints.
 

Variables

const unsigned int CDPL::Chem::AtomMatchConstraint::CONSTRAINT_LIST = 0
 Specifies a constraint which requires the target atom to fulfill additional contraints specified by a Chem::MatchConstraintList object. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::TYPE = 1
 Specifies a constraint on the type of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::ENVIRONMENT = 2
 Specifies a constraint on the structural environment of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::ISOTOPE = 3
 Specifies a constraint on the isotopic mass of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::CHARGE = 4
 Specifies a constraint on the fromal charge of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::RING_BOND_COUNT = 5
 Specifies a constraint on the ring bond count of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::H_COUNT = 6
 Specifies a constraint on the total hydrogen count of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::IMPLICIT_H_COUNT = 7
 Specifies a constraint on the implicit hydrogen count of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_H_COUNT = 8
 Specifies a constraint on the explicit hydrogen count of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::BOND_COUNT = 9
 Specifies a constraint on the total bond count of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_BOND_COUNT = 10
 Specifies a constraint on the explicit bond count of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::HEAVY_BOND_COUNT = 11
 Specifies a constraint on the heavy bond count of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::VALENCE = 12
 Specifies a constraint on the valence of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_VALENCE = 13
 Specifies a constraint on the explicit valence of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::AROMATICITY = 14
 Specifies a constraint on the aromaticity of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::RING_TOPOLOGY = 15
 Specifies a constraint on the ring-membership of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::CONFIGURATION = 16
 Specifies a constraint on the steric configuration of the target atom. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::UNSATURATION = 17
 Specifies a constraint on the (non-)membership of the target atom in a double or triple bond. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::SSSR_RING_COUNT = 18
 Specifies a constraint on the number of rings (from the SSSR) the target atom is a member of. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::SSSR_RING_SIZE = 19
 Specifies a constraint on the size of the rings (from the SSSR) the target atom is a member of. More...
 
const unsigned int CDPL::Chem::AtomMatchConstraint::HYBRIDIZATION_STATE = 20
 Specifies a constraint on the hybridization state of the target atom. More...
 

Detailed Description

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