librascal
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Wrong error message if kernel zeta is not given
Trying to construct a librascal kernel without specifying the (undocumented!) zeta
parameter produces the following error:
---------------------------------------------------------------------------
RuntimeError Traceback (most recent call last)
<ipython-input-75-3e74d2b5343a> in <module>
----> 1 rascal_kernel = Kernel(si, name="Cosine", target_type="Atom")
/local/scratch/mveit/codes/librascal/build/rascal/models/kernels.py in __init__(self, representation, name, kernel_type, target_type, **kwargs)
82 raise ValueError("The given zeta has to be a positive integer.")
83 else:
---> 84 raise RuntimeError("Kernel name must be one of: Cosine, GAP.")
85 hypers = dict(name=name, target_type=target_type)
86 hypers.update(**kwargs)
RuntimeError: Kernel name must be one of: Cosine, GAP.
This is false and misleading. Additionally, the zeta
parameter must be documented (since it is required for both Cosine and GAP kernels (what's the difference? GAP uses a type of "Cosine" kernel when it's used with SOAP...) ).