CDPL::Chem::AtomPropertyFlag Namespace Reference

Provides flags for the specification of basic Chem::Atom properties. More...

Variables
const unsigned int	NONE = 0x0
	Represents an empty set of atom properties. More...
const unsigned int	DEFAULT = 0x80000000
	Represents the default set of atom properties. More...
const unsigned int	CIP_CONFIGURATION = 0x1
	Specifies the CIP-configuration of a chiral atom. More...
const unsigned int	TYPE = 0x2
	Specifies the generic type or element of an atom. More...
const unsigned int	ISOTOPE = 0x4
	Specifies the isotopic mass of an atom. More...
const unsigned int	FORMAL_CHARGE = 0x8
	Specifies the formal charge of an atom. More...
const unsigned int	H_COUNT = 0x10
	Specifies the hydrogen count of an atom. More...
const unsigned int	SYMBOL = 0x20
	Specifies the symbol of an atom's element. More...
const unsigned int	TOPOLOGY = 0x40
	Specifies the ring/chain topology of an atom. More...
const unsigned int	AROMATICITY = 0x80
	Specifies the membership of an atom in aromatic rings. More...
const unsigned int	CONFIGURATION = 0x100
	Specifies the configuration of a stereogenic atom. More...
const unsigned int	ATOM_MAPPING_ID = 0x200
	Specifies the atom-mapping ID an atom in a reaction. More...
const unsigned int	HEAVY_BOND_COUNT = 0x400
	Specifies the heavy bond count of an atom. More...
const unsigned int	VALENCE = 0x800
	Specifies the valence of an atom. More...
const unsigned int	EXPLICIT_BOND_COUNT = 0x1000
	Specifies the explicit bond count of an atom. More...
const unsigned int	HYBRIDIZATION_STATE = 0x2000
	Specifies the hybridization state an atom. More...

Detailed Description

Provides flags for the specification of basic Chem::Atom properties.

Variable Documentation

NONE

const unsigned int CDPL::Chem::AtomPropertyFlag::NONE = 0x0

Represents an empty set of atom properties.

DEFAULT

const unsigned int CDPL::Chem::AtomPropertyFlag::DEFAULT = 0x80000000

Represents the default set of atom properties.

CIP_CONFIGURATION

const unsigned int CDPL::Chem::AtomPropertyFlag::CIP_CONFIGURATION = 0x1

Specifies the CIP-configuration of a chiral atom.

TYPE

const unsigned int CDPL::Chem::AtomPropertyFlag::TYPE = 0x2

Specifies the generic type or element of an atom.

ISOTOPE

const unsigned int CDPL::Chem::AtomPropertyFlag::ISOTOPE = 0x4

Specifies the isotopic mass of an atom.

FORMAL_CHARGE

const unsigned int CDPL::Chem::AtomPropertyFlag::FORMAL_CHARGE = 0x8

Specifies the formal charge of an atom.

H_COUNT

const unsigned int CDPL::Chem::AtomPropertyFlag::H_COUNT = 0x10

Specifies the hydrogen count of an atom.

SYMBOL

const unsigned int CDPL::Chem::AtomPropertyFlag::SYMBOL = 0x20

Specifies the symbol of an atom's element.

TOPOLOGY

const unsigned int CDPL::Chem::AtomPropertyFlag::TOPOLOGY = 0x40

Specifies the ring/chain topology of an atom.

AROMATICITY

const unsigned int CDPL::Chem::AtomPropertyFlag::AROMATICITY = 0x80

Specifies the membership of an atom in aromatic rings.

CONFIGURATION

const unsigned int CDPL::Chem::AtomPropertyFlag::CONFIGURATION = 0x100

Specifies the configuration of a stereogenic atom.

ATOM_MAPPING_ID

const unsigned int CDPL::Chem::AtomPropertyFlag::ATOM_MAPPING_ID = 0x200

Specifies the atom-mapping ID an atom in a reaction.

HEAVY_BOND_COUNT

const unsigned int CDPL::Chem::AtomPropertyFlag::HEAVY_BOND_COUNT = 0x400

Specifies the heavy bond count of an atom.

VALENCE

const unsigned int CDPL::Chem::AtomPropertyFlag::VALENCE = 0x800

Specifies the valence of an atom.

EXPLICIT_BOND_COUNT

const unsigned int CDPL::Chem::AtomPropertyFlag::EXPLICIT_BOND_COUNT = 0x1000

Specifies the explicit bond count of an atom.

HYBRIDIZATION_STATE

const unsigned int CDPL::Chem::AtomPropertyFlag::HYBRIDIZATION_STATE = 0x2000

Specifies the hybridization state an atom.