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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_ATOMPROPERTYFLAG_HPP
30 #define CDPL_CHEM_ATOMPROPERTYFLAG_HPP
42 namespace AtomPropertyFlag
48 const unsigned int NONE = 0x0;
63 const unsigned int TYPE = 0x2;
128 #endif // CDPL_CHEM_ATOMPROPERTYFLAG_HPP
const unsigned int FORMAL_CHARGE
Specifies the formal charge of an atom.
Definition: Chem/AtomPropertyFlag.hpp:73
const unsigned int ATOM_MAPPING_ID
Specifies the atom-mapping ID an atom in a reaction.
Definition: Chem/AtomPropertyFlag.hpp:103
const unsigned int SYMBOL
Specifies the symbol of an atom's element.
Definition: Chem/AtomPropertyFlag.hpp:83
const unsigned int EXPLICIT_BOND_COUNT
Specifies the explicit bond count of an atom.
Definition: Chem/AtomPropertyFlag.hpp:118
const unsigned int CONFIGURATION
Specifies the configuration of a stereogenic atom.
Definition: Chem/AtomPropertyFlag.hpp:98
const unsigned int NONE
Represents an empty set of atom properties.
Definition: Chem/AtomPropertyFlag.hpp:48
const unsigned int VALENCE
Specifies the valence of an atom.
Definition: Chem/AtomPropertyFlag.hpp:113
const unsigned int DEFAULT
Represents the default set of atom properties.
Definition: Chem/AtomPropertyFlag.hpp:53
const unsigned int TYPE
Specifies the generic type or element of an atom.
Definition: Chem/AtomPropertyFlag.hpp:63
const unsigned int ISOTOPE
Specifies the isotopic mass of an atom.
Definition: Chem/AtomPropertyFlag.hpp:68
const unsigned int TOPOLOGY
Specifies the ring/chain topology of an atom.
Definition: Chem/AtomPropertyFlag.hpp:88
The namespace of the Chemical Data Processing Library.
const unsigned int CIP_CONFIGURATION
Specifies the CIP-configuration of a chiral atom.
Definition: Chem/AtomPropertyFlag.hpp:58
const unsigned int HEAVY_BOND_COUNT
Specifies the heavy bond count of an atom.
Definition: Chem/AtomPropertyFlag.hpp:108
const unsigned int AROMATICITY
Specifies the membership of an atom in aromatic rings.
Definition: Chem/AtomPropertyFlag.hpp:93
const unsigned int H_COUNT
Specifies the hydrogen count of an atom.
Definition: Chem/AtomPropertyFlag.hpp:78
const unsigned int HYBRIDIZATION_STATE
Specifies the hybridization state an atom.
Definition: Chem/AtomPropertyFlag.hpp:123