text: """
  Tests for Docking 
  """
  from __future__ import division
  from __future__ import print_function
  from __future__ import unicode_literals
  
  __author__ = "Bharath Ramsundar"
  __copyright__ = "Copyright 2016, Stanford University"
  __license__ = "MIT"
  
  import unittest
  import os
  from nose.plugins.attrib import attr
  from nose.tools import nottest
  import sys
  import deepchem as dc
  
  
  class TestDocking(unittest.TestCase):
    """
    Does sanity checks on pose generation. 
    """
  
    def test_vina_grid_rf_docker_init(self):
      """Test that VinaGridRFDocker can be initialized."""
      if sys.version_info >= (3, 0):
        return
      docker = dc.dock.VinaGridRFDocker(exhaustiveness=1, detect_pockets=False)
  
    def test_pocket_vina_grid_rf_docker_init(self):
      """Test that VinaGridRFDocker w/pockets can be initialized."""
      if sys.version_info >= (3, 0):
        return
      docker = dc.dock.VinaGridRFDocker(exhaustiveness=1, detect_pockets=True)
  
    '''
    @attr("slow")
    def test_vina_grid_dnn_docker_init(self):
      """Test that VinaGridDNNDocker can be initialized."""
      docker = dc.dock.VinaGridDNNDocker(exhaustiveness=1, detect_pockets=False)
  
    def test_pocket_vina_grid_dnn_docker_init(self):
      """Test that VinaGridDNNDocker can be initialized."""
      if sys.version_info >= (3, 0):
        return
      docker = dc.dock.VinaGridDNNDocker(exhaustiveness=1, detect_pockets=True)
    '''
  
    @attr("slow")
    def test_vina_grid_rf_docker_dock(self):
      """Test that VinaGridRFDocker can dock."""
      if sys.version_info >= (3, 0):
        return
  
      current_dir = os.path.dirname(os.path.realpath(__file__))
      protein_file = os.path.join(current_dir, "1jld_protein.pdb")
      ligand_file = os.path.join(current_dir, "1jld_ligand.sdf")
  
      docker = dc.dock.VinaGridRFDocker(exhaustiveness=1, detect_pockets=False)
      (score, (protein_docked, ligand_docked)) = docker.dock(
          protein_file, ligand_file)
  
      # Check returned files exist
      assert score.shape == (1,)
      assert os.path.exists(protein_docked)
      assert os.path.exists(ligand_docked)
  
    def test_vina_grid_rf_docker_specified_pocket(self):
      """Test that VinaGridRFDocker can dock into spec. pocket."""
      if sys.version_info >= (3, 0):
        return
  
      current_dir = os.path.dirname(os.path.realpath(__file__))
      protein_file = os.path.join(current_dir, "1jld_protein.pdb")
      ligand_file = os.path.join(current_dir, "1jld_ligand.sdf")
  
      docker = dc.dock.VinaGridRFDocker(exhaustiveness=1, detect_pockets=False)
      (score, (protein_docked, ligand_docked)) = docker.dock(
          protein_file,
          ligand_file,
          centroid=(10, 10, 10),
          box_dims=(1, 1, 1),
          dry_run=True)
  
      # Check returned files exist
      assert score.shape == (1,)
  
    @nottest
    def test_pocket_vina_grid_rf_docker_dock(self):
      """Test that VinaGridRFDocker can dock."""
      if sys.version_info >= (3, 0):
        return
  
      current_dir = os.path.dirname(os.path.realpath(__file__))
      protein_file = os.path.join(current_dir, "1jld_protein.pdb")
      ligand_file = os.path.join(current_dir, "1jld_ligand.sdf")
  
      docker = dc.dock.VinaGridRFDocker(exhaustiveness=1, detect_pockets=True)
      (score, (protein_docked, ligand_docked)) = docker.dock(
          protein_file, ligand_file, dry_run=True)
  
      # Check returned files exist
      if sys.version_info >= (3, 0):
        return
  
      assert score.shape == (1,)
  
    '''
    @attr("slow")
    def test_vina_grid_dnn_docker_dock(self):
      """Test that VinaGridDNNDocker can dock."""
      current_dir = os.path.dirname(os.path.realpath(__file__))
      protein_file = os.path.join(current_dir, "1jld_protein.pdb")
      ligand_file = os.path.join(current_dir, "1jld_ligand.sdf")
  
      docker = dc.dock.VinaGridDNNDocker(exhaustiveness=1, detect_pockets=False)
      (score, (protein_docked, ligand_docked)) = docker.dock(
          protein_file, ligand_file)
  
      # Check returned files exist
      assert score.shape == (1,)
      assert os.path.exists(protein_docked)
      assert os.path.exists(ligand_docked)
  
    @attr('slow')
    def test_pocket_vina_grid_dnn_docker_dock(self):
      """Test that VinaGridDNNDocker can dock."""
      if sys.version_info >= (3, 0):
        return
  
      current_dir = os.path.dirname(os.path.realpath(__file__))
      protein_file = os.path.join(current_dir, "1jld_protein.pdb")
      ligand_file = os.path.join(current_dir, "1jld_ligand.sdf")
  
      docker = dc.dock.VinaGridDNNDocker(exhaustiveness=1, detect_pockets=True)
      (score, (protein_docked, ligand_docked)) = docker.dock(
          protein_file, ligand_file, dry_run=True)
  
      # Check returned files exist
      assert score.shape == (1,)
    '''
  