nan_to_num numpy2.x compatibility

aditya0by0 · aditya0by0 · commit 4319e4731a76 · 2025-05-25T11:24:40.000+02:00
fix for #10
diff --git a/chebai_graph/preprocessing/properties.py b/chebai_graph/preprocessing/properties.py
@@ -155,5 +155,5 @@ def get_property_value(self, mol: Chem.rdchem.Mol):
         features_normalized = generator_normalized.processMol(
             mol, Chem.MolToSmiles(mol)
         )
-        np.nan_to_num(features_normalized, copy=False)
+        features_normalized = np.nan_to_num(features_normalized)
         return [features_normalized[1:]]

Original file line number	Diff line number	Diff line change
`@@ -155,5 +155,5 @@ def get_property_value(self, mol: Chem.rdchem.Mol):`
`155`	`155`	`features_normalized = generator_normalized.processMol(`
`156`	`156`	`mol, Chem.MolToSmiles(mol)`
`157`	`157`	`)`
`158`		`- np.nan_to_num(features_normalized, copy=False)`
	`158`	`+ features_normalized = np.nan_to_num(features_normalized)`
`159`	`159`	`return [features_normalized[1:]]`