Chemical Data Processing Library Python API - Version 1.2.0
|
Provides flags for the specification of basic Chem.Atom properties. More...
Static Public Attributes | |
int | NONE = 0 |
Represents an empty set of atom properties. | |
int | DEFAULT = 2147483648 |
Represents the default set of atom properties. | |
int | AROMATICITY = 128 |
Specifies the membership of an atom in aromatic rings. | |
int | TYPE = 2 |
Specifies the generic type or element of an atom. | |
int | CIP_CONFIGURATION = 1 |
Specifies the CIP-configuration of a chiral atom. | |
int | CONFIGURATION = 256 |
Specifies the configuration of a stereogenic atom. | |
int | FORMAL_CHARGE = 8 |
Specifies the formal charge of an atom. | |
int | H_COUNT = 16 |
Specifies the hydrogen count of an atom. | |
int | HEAVY_BOND_COUNT = 1024 |
Specifies the heavy bond count of an atom. | |
int | EXPLICIT_BOND_COUNT = 4096 |
Specifies the explicit bond count of an atom. | |
int | VALENCE = 2048 |
Specifies the valence of an atom. | |
int | ISOTOPE = 4 |
Specifies the isotopic mass of an atom. | |
int | SYMBOL = 32 |
Specifies the symbol of an atom's element. | |
int | TOPOLOGY = 64 |
Specifies the ring/chain topology of an atom. | |
int | HYBRIDIZATION_STATE = 8192 |
Specifies the hybridization state an atom. | |
int | ATOM_MAPPING_ID = 512 |
Specifies the atom-mapping ID an atom in a reaction. | |
Provides flags for the specification of basic Chem.Atom properties.