Chemical Data Processing Library Python API - Version 1.1.1
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The default functor for the generation of bond descriptors. More...
Public Member Functions | |
None | __init__ (int flags=14) |
Constructs the bond descriptor functor object for the specified set of bond properties. More... | |
int | __call__ (Chem.Bond bond) |
Generates a descriptor for the argument bond. More... | |
The default functor for the generation of bond descriptors.
None CDPL.Descr.PathFingerprintGenerator.DefBondDescriptorFunctor.__init__ | ( | int | flags = 14 | ) |
Constructs the bond descriptor 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.PathFingerprintGenerator.DefBondDescriptorFunctor.__call__ | ( | Chem.Bond | bond | ) |
Generates a descriptor for the argument bond.
The generated descriptor depends on the set of considered bond properties that has been specified in the constructor.
bond | The bond for which to generate the descriptor. |