Provides numerical identifiers for built-in Chem::Atom matching constraints. More...

Variables
const unsigned int	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	TYPE = 1
	Specifies a constraint on the type of the target atom. More...

const unsigned int	ENVIRONMENT = 2
	Specifies a constraint on the structural environment of the target atom. More...

const unsigned int	ISOTOPE = 3
	Specifies a constraint on the isotopic mass of the target atom. More...

const unsigned int	CHARGE = 4
	Specifies a constraint on the fromal charge of the target atom. More...

const unsigned int	RING_BOND_COUNT = 5
	Specifies a constraint on the ring bond count of the target atom. More...

const unsigned int	H_COUNT = 6
	Specifies a constraint on the total hydrogen count of the target atom. More...

const unsigned int	IMPLICIT_H_COUNT = 7
	Specifies a constraint on the implicit hydrogen count of the target atom. More...

const unsigned int	EXPLICIT_H_COUNT = 8
	Specifies a constraint on the explicit hydrogen count of the target atom. More...

const unsigned int	BOND_COUNT = 9
	Specifies a constraint on the total bond count of the target atom. More...

const unsigned int	EXPLICIT_BOND_COUNT = 10
	Specifies a constraint on the explicit bond count of the target atom. More...

const unsigned int	HEAVY_BOND_COUNT = 11
	Specifies a constraint on the heavy bond count of the target atom. More...

const unsigned int	VALENCE = 12
	Specifies a constraint on the valence of the target atom. More...

const unsigned int	EXPLICIT_VALENCE = 13
	Specifies a constraint on the explicit valence of the target atom. More...

const unsigned int	AROMATICITY = 14
	Specifies a constraint on the aromaticity of the target atom. More...

const unsigned int	RING_TOPOLOGY = 15
	Specifies a constraint on the ring-membership of the target atom. More...

const unsigned int	CONFIGURATION = 16
	Specifies a constraint on the steric configuration of the target atom. More...

const unsigned int	UNSATURATION = 17
	Specifies a constraint on the (non-)membership of the target atom in a double or triple bond. More...

const unsigned int	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	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	HYBRIDIZATION_STATE = 20
	Specifies a constraint on the hybridization state of the target atom. More...

Detailed Description

Provides numerical identifiers for built-in Chem::Atom matching constraints.

Variable Documentation

◆ CONSTRAINT_LIST

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.

◆ TYPE

const unsigned int CDPL::Chem::AtomMatchConstraint::TYPE = 1

Specifies a constraint on the type of the target atom.

◆ ENVIRONMENT

const unsigned int CDPL::Chem::AtomMatchConstraint::ENVIRONMENT = 2

Specifies a constraint on the structural environment of the target atom.

◆ ISOTOPE

const unsigned int CDPL::Chem::AtomMatchConstraint::ISOTOPE = 3

Specifies a constraint on the isotopic mass of the target atom.

◆ CHARGE

const unsigned int CDPL::Chem::AtomMatchConstraint::CHARGE = 4

Specifies a constraint on the fromal charge of the target atom.

◆ RING_BOND_COUNT

const unsigned int CDPL::Chem::AtomMatchConstraint::RING_BOND_COUNT = 5

Specifies a constraint on the ring bond count of the target atom.

◆ H_COUNT

const unsigned int CDPL::Chem::AtomMatchConstraint::H_COUNT = 6

Specifies a constraint on the total hydrogen count of the target atom.

◆ IMPLICIT_H_COUNT

const unsigned int CDPL::Chem::AtomMatchConstraint::IMPLICIT_H_COUNT = 7

Specifies a constraint on the implicit hydrogen count of the target atom.

◆ EXPLICIT_H_COUNT

const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_H_COUNT = 8

Specifies a constraint on the explicit hydrogen count of the target atom.

◆ BOND_COUNT

const unsigned int CDPL::Chem::AtomMatchConstraint::BOND_COUNT = 9

Specifies a constraint on the total bond count of the target atom.

◆ EXPLICIT_BOND_COUNT

const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_BOND_COUNT = 10

Specifies a constraint on the explicit bond count of the target atom.

◆ HEAVY_BOND_COUNT

const unsigned int CDPL::Chem::AtomMatchConstraint::HEAVY_BOND_COUNT = 11

Specifies a constraint on the heavy bond count of the target atom.

◆ VALENCE

const unsigned int CDPL::Chem::AtomMatchConstraint::VALENCE = 12

Specifies a constraint on the valence of the target atom.

◆ EXPLICIT_VALENCE

const unsigned int CDPL::Chem::AtomMatchConstraint::EXPLICIT_VALENCE = 13

Specifies a constraint on the explicit valence of the target atom.

◆ AROMATICITY

const unsigned int CDPL::Chem::AtomMatchConstraint::AROMATICITY = 14

Specifies a constraint on the aromaticity of the target atom.

◆ RING_TOPOLOGY

const unsigned int CDPL::Chem::AtomMatchConstraint::RING_TOPOLOGY = 15

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

◆ CONFIGURATION

const unsigned int CDPL::Chem::AtomMatchConstraint::CONFIGURATION = 16

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

◆ UNSATURATION

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.

◆ SSSR_RING_COUNT

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.

◆ SSSR_RING_SIZE

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.

◆ HYBRIDIZATION_STATE

const unsigned int CDPL::Chem::AtomMatchConstraint::HYBRIDIZATION_STATE = 20

Specifies a constraint on the hybridization state of the target atom.

Variables