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

Definition of constants in namespace CDPL::Chem::AtomPropertyFlag. 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::AtomPropertyFlag
 Provides flags for the specification of basic Chem::Atom properties.
 

Variables

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

Detailed Description

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