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