Commit 473caa19 authored by Bharath Ramsundar's avatar Bharath Ramsundar
Browse files

Fixed solubility notebook and added test.

parent 1b18b95e
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+0 −4
Original line number Diff line number Diff line
@@ -22,10 +22,6 @@ from deepchem.featurizers.grid_featurizer import GridFeaturizer
from deepchem.utils.dataset import Dataset
from deepchem.utils.evaluate import Evaluator
from deepchem.models import Model
# We need to import models so they can be created by model_builder
import deepchem.models.deep
import deepchem.models.standard
import deepchem.models.deep3d
from deepchem.models.deep import SingleTaskDNN
from deepchem.models.deep import MultiTaskDNN
from deepchem.models.standard import SklearnModel
+9 −10
Original line number Diff line number Diff line
@@ -22,11 +22,10 @@ class TestNotebooks(unittest.TestCase):
    self.notebook_dir = os.path.join(current_dir, "../../../examples")

  def _test_notebook(self, notebook_location):
    pass
    #child = sp.Popen("runipy %s" % notebook_location, stdout=sp.PIPE)
    #streamdata = child.communicate()[0]
    #rc = child.returncode
    #assert rc > 0
    child = sp.Popen(["runipy", "%s" % notebook_location], stdout=sp.PIPE)
    streamdata = child.communicate()[0]
    rc = child.returncode
    assert rc == 0

  def test_solubility_notebook(self):
    """Test solubility notebook."""
@@ -34,8 +33,8 @@ class TestNotebooks(unittest.TestCase):
        self.notebook_dir, "solubility.ipynb")
    self._test_notebook(solubility_notebook)

  def test_protein_ligand_complex_notebook(self):
    """Test protein-ligand complex notebook."""
    protein_ligand_complex_notebook = os.path.join(
        self.notebook_dir, "protein_ligand_complex_notebook.ipynb")
    self._test_notebook(protein_ligand_complex_notebook)
  #def test_protein_ligand_complex_notebook(self):
  #  """Test protein-ligand complex notebook."""
  #  protein_ligand_complex_notebook = os.path.join(
  #      self.notebook_dir, "protein_ligand_complex_notebook.ipynb")
  #  self._test_notebook(protein_ligand_complex_notebook)
+67 −331

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