📝 fix docs

  z_min = int(np.floor(np.amin(pocket_coords[:, 2])))

  z_max = int(np.ceil(np.amax(pocket_coords[:, 2])))

  box = CoordinateBox((x_min, x_max), (y_min, y_max), (z_min, z_max))

  return (box, pocket_coords)

  return box, pocket_coords

class BindingPocketFinder(object):

"""

Tests for binding pocket detection.

"""

import os

import logging

import unittest

import os

import numpy as np

import deepchem as dc

from deepchem.utils import rdkit_utils

    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))

    finder = dc.dock.ConvexHullPocketFinder()

    pockets = finder.find_pockets(protein_file)

    assert len(pockets) > 0

    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)

logger = logging.getLogger(__name__)

@pytest.mark.linux_only

class TestPoseScoring(unittest.TestCase):

  """

  Does sanity checks on pose generation.