clustering refactor

OpenFreeEnergy · May 6, 2024 · ab8bc0f · ab8bc0f
1 parent 5776267
commit ab8bc0f
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diff --git 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
@@ -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