Commit 0ab1da22 authored by nd-02110114's avatar nd-02110114
Browse files

🚨 fix lint error

parent f46535a3

deepchem/dock/tests/test_binding_pocket.py

+3 −1
Original line number Diff line number Diff line
@@ -54,6 +54,8 @@ class TestBindingPocket(unittest.TestCase): 
    protein_file = os.path.join(current_dir, "1jld_protein.pdb")

    ligand_file = os.path.join(current_dir, "1jld_ligand.sdf")



    active_site_box, active_site_coords = dc.dock.binding_pocket.extract_active_site(protein_file, ligand_file)

    active_site_box, active_site_coords = \

      dc.dock.binding_pocket.extract_active_site(protein_file, ligand_file)



    assert isinstance(active_site_box, box_utils.CoordinateBox)

    assert isinstance(active_site_coords, np.ndarray)

deepchem/dock/tests/test_pose_scoring.py

+0 −1
Original line number Diff line number Diff line
@@ -4,7 +4,6 @@ Tests for Pose Scoring 


import logging

import unittest

import pytest

import numpy as np



from deepchem.dock.pose_scoring import vina_nonlinearity

deepchem/utils/molecule_graph.py

+2 −2
Original line number Diff line number Diff line
@@ -119,7 +119,7 @@ class BatchMoleculeGraphData(MoleculeGraphData): 
    """

    Parameters

    ----------

    molecule_graphs : Iterable[MoleculeGraphData]

    molecule_graphs : Sequence[MoleculeGraphData]

      List of MoleculeGraphData

    """

    # stack features and targets
@@ -168,7 +168,7 @@ class BatchMoleculeGraphData(MoleculeGraphData): 


      Parameters

      ----------

      molecule_graphs : Iterable[MoleculeGraphData]

      molecule_graphs : Sequence[MoleculeGraphData]

        List of MoleculeGraphData



      Returns

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