From f9b3c1b453d20ce98eff658aab7436804a01154c Mon Sep 17 00:00:00 2001 From: "Kevin M. Jablonka" Date: Thu, 17 Dec 2020 19:02:15 +0100 Subject: [PATCH] chore: reverting cutoffs --- oximachine_featurizer/crystalnn.py | 2 +- oximachine_featurizer/featurizer_local_property.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/oximachine_featurizer/crystalnn.py b/oximachine_featurizer/crystalnn.py index 36d55fa..73e48ee 100644 --- a/oximachine_featurizer/crystalnn.py +++ b/oximachine_featurizer/crystalnn.py @@ -32,7 +32,7 @@ def __init__( distance_cutoffs=(0.5, 1), x_diff_weight=3.0, porous_adjustment=True, - search_cutoff=13, + search_cutoff=8, fingerprint_length=None, ): """ diff --git a/oximachine_featurizer/featurizer_local_property.py b/oximachine_featurizer/featurizer_local_property.py index e112f72..9dfd5c3 100644 --- a/oximachine_featurizer/featurizer_local_property.py +++ b/oximachine_featurizer/featurizer_local_property.py @@ -83,7 +83,7 @@ def featurize(self, strc, idx): # Get the tessellation of a site nn = get_nearest_neighbors( - VoronoiNN(weight=self.weight, cutoff=13, compute_adj_neighbors=False), + VoronoiNN(weight=self.weight, cutoff=8, compute_adj_neighbors=False), strc, idx, )