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Chemical Data Processing Library C++ API - Version 1.2.0
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Chemical Data Processing Library C++ API - Version 1.2.0
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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 | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::NONE = 0x0 |
| Represents an empty set of atom properties. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::DEFAULT = 0x80000000 |
| Represents the default set of atom properties. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::CIP_CONFIGURATION = 0x1 |
| Specifies the CIP-configuration of a chiral atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::TYPE = 0x2 |
| Specifies the generic type or element of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::ISOTOPE = 0x4 |
| Specifies the isotopic mass of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::FORMAL_CHARGE = 0x8 |
| Specifies the formal charge of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::H_COUNT = 0x10 |
| Specifies the hydrogen count of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::SYMBOL = 0x20 |
| Specifies the symbol of an atom's element. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::TOPOLOGY = 0x40 |
| Specifies the ring/chain topology of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::AROMATICITY = 0x80 |
| Specifies the membership of an atom in aromatic rings. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::CONFIGURATION = 0x100 |
| Specifies the configuration of a stereogenic atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::ATOM_MAPPING_ID = 0x200 |
| Specifies the atom-mapping ID an atom in a reaction. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::HEAVY_BOND_COUNT = 0x400 |
| Specifies the heavy bond count of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::VALENCE = 0x800 |
| Specifies the valence of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::EXPLICIT_BOND_COUNT = 0x1000 |
| Specifies the explicit bond count of an atom. More... | |
| constexpr unsigned int | CDPL::Chem::AtomPropertyFlag::HYBRIDIZATION_STATE = 0x2000 |
| Specifies the hybridization state an atom. More... | |
Definition of constants in namespace CDPL::Chem::AtomPropertyFlag.
1.9.1