From 2c9dc3ce24bce95a5cc5017be732895137bc7780 Mon Sep 17 00:00:00 2001 From: Sofiia Chorna <71195115+sofiia-chorna@users.noreply.github.com> Date: Tue, 3 Sep 2024 18:03:49 +0200 Subject: [PATCH] Update python/examples/6-explore.py Co-authored-by: Guillaume Fraux --- python/examples/6-explore.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/python/examples/6-explore.py b/python/examples/6-explore.py index f4aacbda9..db0a5b86f 100644 --- a/python/examples/6-explore.py +++ b/python/examples/6-explore.py @@ -125,7 +125,9 @@ def fetch_dataset(filename, base_url="https://zenodo.org/records/12748925/files/ # if they were provided to the :py:func:`chemiscope.explore`. -def soap_kpca_featurize(frames, _environments): +def soap_kpca_featurize(frames, environments): + if environments is not None: + raise ValueError("'environments' are not supported") # Initialise soap calculator. The detailed explanation of the provided # hyperparameters can be checked in the documentation of the library (``dscribe``). soap = SOAP(