def test_shapes(self):
"""Simple test that Graph topology placeholders have correct shapes."""
n_atoms = 5
n_feat = 10
batch_size = 3
max_deg = 6
min_deg = 0
topology = GraphTopology(n_feat)
# Degrees from 1 to max_deg inclusive
# TODO(rbharath): Should this be 0 to max_deg inclusive?
deg_adj_lists_placeholders = topology.get_deg_adjacency_lists_placeholders()
assert len(deg_adj_lists_placeholders) == max_deg
for ind, deg_adj_list in enumerate(deg_adj_lists_placeholders):
deg = ind + 1
# Should have shape (?, deg)
assert deg_adj_list.get_shape()[1] == deg
# Shape of atom_features should be (?, n_feat)
atom_features = topology.get_atom_features_placeholder()
assert atom_features.get_shape()[1] == n_feat
# Shape of deg_slice placeholder should be (max_deg+1-min_deg, 2)
deg_slice = topology.get_deg_slice_placeholder()
print("deg_slice.get_shape()")
print(deg_slice.get_shape())
assert deg_slice.get_shape() == (max_deg+1-min_deg, 2)
def test_shapes(self):
"""Simple test that Graph topology placeholders have correct shapes."""
n_atoms = 5
n_feat = 10
batch_size = 3
max_deg = 6
min_deg = 0
topology = GraphTopology(n_feat)
# Degrees from 1 to max_deg inclusive
# TODO(rbharath): Should this be 0 to max_deg inclusive?
deg_adj_lists_placeholders = topology.get_deg_adjacency_lists_placeholders(
)
assert len(deg_adj_lists_placeholders) == max_deg
for ind, deg_adj_list in enumerate(deg_adj_lists_placeholders):
deg = ind + 1
# Should have shape (?, deg)
assert deg_adj_list.get_shape()[1] == deg
# Shape of atom_features should be (?, n_feat)
atom_features = topology.get_atom_features_placeholder()
assert atom_features.get_shape()[1] == n_feat
# Shape of deg_slice placeholder should be (max_deg+1-min_deg, 2)
deg_slice = topology.get_deg_slice_placeholder()
print("deg_slice.get_shape()")
print(deg_slice.get_shape())
assert deg_slice.get_shape() == (max_deg + 1 - min_deg, 2)
