Commit f559770c authored by peastman's avatar peastman
Browse files

Fixed failing test case

parent 851b757f

deepchem/models/tensorgraph/layers.py

+1 −1
Original line number Diff line number Diff line
@@ -3886,7 +3886,7 @@ class AtomicConvolution(Layer): 
    rsf = self.radial_symmetry_function(R, rc, rs, re)



    if not self.atom_types:

      cond = tf.to_float(tf.not_equal(Nbrs_Z, 0.0))

      cond = tf.cast(tf.not_equal(Nbrs_Z, 0), tf.float32)

      cond = tf.reshape(cond, R.shape)

      layer = tf.reduce_sum(cond * rsf, 3)

    else:

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