yapf being broken (57557a44) · Commits · 钟慕尧 / deepchem

deepchem/models/tensorgraph/layers.py

+4 −4

Original line number	Diff line number	Diff line
		@@ -1274,8 +1274,8 @@ class NeighborList(Layer):
		# List of length N_atoms each of shape (M_nbrs)
		padded_dists = [
		tf.reduce_sum((atom_coord - padded_nbr_coord)**2, axis=1)
		for (atom_coord,
		padded_nbr_coord) in zip(atom_coords, padded_nbr_coords)
		for (atom_coord, padded_nbr_coord
		) in zip(atom_coords, padded_nbr_coords)
		]

		padded_closest_nbrs = [
		@@ -1286,8 +1286,8 @@ class NeighborList(Layer):
		# N_atoms elts of size (M_nbrs,) each
		padded_neighbor_list = [
		tf.gather(padded_atom_nbrs, padded_closest_nbr)
		for (padded_atom_nbrs,
		padded_closest_nbr) in zip(padded_nbrs, padded_closest_nbrs)
		for (padded_atom_nbrs, padded_closest_nbr
		) in zip(padded_nbrs, padded_closest_nbrs)
		]

		neighbor_list = tf.stack(padded_neighbor_list)