Chemical Data Processing Library C++ API - Version 1.1.1
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Provides flags for the specification of basic Chem::Atom properties. More...
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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... | |
Provides flags for the specification of basic Chem::Atom properties.
const unsigned int CDPL::Chem::AtomPropertyFlag::NONE = 0x0 |
Represents an empty set of atom properties.
const unsigned int CDPL::Chem::AtomPropertyFlag::DEFAULT = 0x80000000 |
Represents the default set of atom properties.
const unsigned int CDPL::Chem::AtomPropertyFlag::CIP_CONFIGURATION = 0x1 |
Specifies the CIP-configuration of a chiral atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::TYPE = 0x2 |
Specifies the generic type or element of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::ISOTOPE = 0x4 |
Specifies the isotopic mass of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::FORMAL_CHARGE = 0x8 |
Specifies the formal charge of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::H_COUNT = 0x10 |
Specifies the hydrogen count of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::SYMBOL = 0x20 |
Specifies the symbol of an atom's element.
const unsigned int CDPL::Chem::AtomPropertyFlag::TOPOLOGY = 0x40 |
Specifies the ring/chain topology of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::AROMATICITY = 0x80 |
Specifies the membership of an atom in aromatic rings.
const unsigned int CDPL::Chem::AtomPropertyFlag::CONFIGURATION = 0x100 |
Specifies the configuration of a stereogenic atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::ATOM_MAPPING_ID = 0x200 |
Specifies the atom-mapping ID an atom in a reaction.
const unsigned int CDPL::Chem::AtomPropertyFlag::HEAVY_BOND_COUNT = 0x400 |
Specifies the heavy bond count of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::VALENCE = 0x800 |
Specifies the valence of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::EXPLICIT_BOND_COUNT = 0x1000 |
Specifies the explicit bond count of an atom.
const unsigned int CDPL::Chem::AtomPropertyFlag::HYBRIDIZATION_STATE = 0x2000 |
Specifies the hybridization state an atom.