Chemical Data Processing Library Python API - Version 1.1.1
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The default functor for the generation of bond identifiers. More...
Public Member Functions | |
None | __init__ (int flags=10) |
Constructs the bond identifier functor object for the specified set of bond properties. More... | |
int | __call__ (Chem.Bond bond) |
Generates an identifier for the argument bond. More... | |
The default functor for the generation of bond identifiers.
None CDPL.Descr.CircularFingerprintGenerator.DefBondIdentifierFunctor.__init__ | ( | int | flags = 10 | ) |
Constructs the bond identifier functor object for the specified set of bond properties.
The flags argument is an OR combination of the constants defined in namespace Chem.BondPropertyFlag.
Supported property flags are:
flags | Specifies the set of considered bond properties. |
int CDPL.Descr.CircularFingerprintGenerator.DefBondIdentifierFunctor.__call__ | ( | Chem.Bond | bond | ) |
Generates an identifier for the argument bond.
The generated identifier depends on the set of considered bond properties that has been specified in the constructor.
bond | The bond for which to generate the identifier. |