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When providing an empty frames list to a SOAP representation the method get_feature method should raise a ValueError.
get_feature
ValueError
The kernel quits with a segmentation fault.
from rascal.representations import SphericalInvariants as SOAP hypers = dict(soap_type='PowerSpectrum', interaction_cutoff=3.5, max_radial=6, max_angular=6, gaussian_sigma_type='Constant', gaussian_sigma_constant=0.4, cutoff_smooth_width=0.5) frames = [] soap = SOAP(**hypers) soap_rep = soap.transform(frames) soap_rep.get_features(soap)
The text was updated successfully, but these errors were encountered:
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Expected behavior
When providing an empty frames list to a SOAP representation the method
get_feature
method should raise aValueError
.Actual behavior
The kernel quits with a segmentation fault.
Code to reproduce the behavior
The text was updated successfully, but these errors were encountered: