Loading deepchem/models/tensorgraph/tests/test_docking.py +1 −1 Original line number Diff line number Diff line Loading @@ -167,7 +167,7 @@ class TestDocking(test_util.TensorFlowTestCase): with self.test_session() as sess: coords = start + np.random.rand(N_atoms, ndim) * (stop - start) coords = tf.stack(coords) nbr_list = NeighborList(N_atoms, M_nbrs, ndim, n_cells, k, nbr_cutoff)( nbr_list = NeighborList(N_atoms, M_nbrs, ndim, n_cells, k, nbr_cutoff, start, stop)( coords) nbr_list = nbr_list.eval() assert nbr_list.shape == (N_atoms, M_nbrs) Loading Loading
deepchem/models/tensorgraph/tests/test_docking.py +1 −1 Original line number Diff line number Diff line Loading @@ -167,7 +167,7 @@ class TestDocking(test_util.TensorFlowTestCase): with self.test_session() as sess: coords = start + np.random.rand(N_atoms, ndim) * (stop - start) coords = tf.stack(coords) nbr_list = NeighborList(N_atoms, M_nbrs, ndim, n_cells, k, nbr_cutoff)( nbr_list = NeighborList(N_atoms, M_nbrs, ndim, n_cells, k, nbr_cutoff, start, stop)( coords) nbr_list = nbr_list.eval() assert nbr_list.shape == (N_atoms, M_nbrs) Loading
