From ab8bc0fcd544e23f633f05a09ded4e47bff605c6 Mon Sep 17 00:00:00 2001 From: riesben Date: Mon, 6 May 2024 23:00:17 +0200 Subject: [PATCH] clustering refactor --- src/konnektor/network_tools/misc.py | 4 ++-- .../tests/network_planners/test_charge_clustering.py | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/konnektor/network_tools/misc.py b/src/konnektor/network_tools/misc.py index 6f4ba21..f031691 100644 --- a/src/konnektor/network_tools/misc.py +++ b/src/konnektor/network_tools/misc.py @@ -2,11 +2,11 @@ from sklearn.base import TransformerMixin, ClusterMixin from sklearn.cluster import KMeans -from scikit_mol.fingerprints import RDKitFingerprintTransformer, MorganFingerprintTransformer +from scikit_mol.fingerprints import RDKitFingerprintTransformer from gufe import LigandNetwork, LigandAtomMapping, SmallMoleculeComponent -from .cluster_components import ComponentsDiversityClustering +from konnektor.network_tools.clustering.cluster_components import ComponentsDiversityClustering def delete_transformation(network :LigandNetwork, diff --git a/src/konnektor/tests/network_planners/test_charge_clustering.py b/src/konnektor/tests/network_planners/test_charge_clustering.py index 402f399..38f1367 100644 --- a/src/konnektor/tests/network_planners/test_charge_clustering.py +++ b/src/konnektor/tests/network_planners/test_charge_clustering.py @@ -3,7 +3,7 @@ from rdkit import Chem from rdkit.Chem import AllChem -from konnektor.network_tools import charge_clustering +from konnektor.network_tools.clustering import charge_clustering @pytest.fixture