Chemical Data Processing Library Python API - Version 1.1.1
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The default functor for the generation of atom descriptors. More...
Public Member Functions | |
None | __init__ (int flags=142) |
Constructs the atom descriptor functor object for the specified set of atomic properties. More... | |
int | __call__ (Chem.Atom atom) |
Generates a descriptor for the argument atom. More... | |
The default functor for the generation of atom descriptors.
None CDPL.Descr.PathFingerprintGenerator.DefAtomDescriptorFunctor.__init__ | ( | int | flags = 142 | ) |
Constructs the atom descriptor functor object for the specified set of atomic properties.
The flags argument is an OR combination of the constants defined in namespace Chem.AtomPropertyFlag. Supported property flags are:
flags | Specifies the set of considered atomic properties. |
int CDPL.Descr.PathFingerprintGenerator.DefAtomDescriptorFunctor.__call__ | ( | Chem.Atom | atom | ) |
Generates a descriptor for the argument atom.
The generated descriptor depends on the set of considered atomic properties that has been specified in the constructor.
atom | The atom for which to generate the descriptor. |