Chemical Data Processing Library Python API - Version 1.2.0
Static Public Attributes | List of all members
CDPL.Chem.AtomPropertyFlag Class Reference

Provides flags for the specification of basic Chem.Atom properties. More...

+ Inheritance diagram for CDPL.Chem.AtomPropertyFlag:

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.
 

Detailed Description

Provides flags for the specification of basic Chem.Atom properties.