From 03b1e81beed6630dfdc0e3e955453a46d4352985 Mon Sep 17 00:00:00 2001 From: Jochen Sieg Date: Thu, 21 Nov 2024 11:18:07 +0100 Subject: [PATCH] fix wrong fingerprint usage --- tests/test_elements/test_mol2any/test_mol2concatenated.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/tests/test_elements/test_mol2any/test_mol2concatenated.py b/tests/test_elements/test_mol2any/test_mol2concatenated.py index 967e35d7..1915a251 100644 --- a/tests/test_elements/test_mol2any/test_mol2concatenated.py +++ b/tests/test_elements/test_mol2any/test_mol2concatenated.py @@ -14,7 +14,9 @@ from molpipeline.abstract_pipeline_elements.core import MolToAnyPipelineElement from molpipeline.any2mol import SmilesToMol from molpipeline.mol2any import ( + Mol2PathFP, MolToConcatenatedVector, + MolToMACCSFP, MolToMorganFP, MolToNetCharge, MolToRDKitPhysChem, @@ -166,11 +168,11 @@ def test_features_names(self) -> None: # pylint: disable-msg=too-many-locals ) path_elem = ( "PathFP", - MolToMorganFP(n_bits=15), + Mol2PathFP(n_bits=15), ) maccs_elem = ( "MACCSFP", - MolToMorganFP(n_bits=14), + MolToMACCSFP(), ) elements = [