Closed htz1992213 closed 3 years ago
Did some testing just now. I think you need some extra logic in core.get_heatmap
, line 1036. Otherwise this part of the code can't handle a list input
if isinstance(cluster_terminal, str):
terminal_atom_type = [cluster_terminal]
for i in cluster_terminal:
terminal_atom_type = self.select_dict.get(i)
assert terminal_atom_type is not None, "{} not defined in select_dict".format(i)
@rkingsbury Oh I see, thanks
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