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)