Fixed failing test cases (bf9e1f2b) · Commits · 钟慕尧 / deepchem

deepchem/models/tensorgraph/graph_layers.py

+12 −0

Original line number	Diff line number	Diff line
		@@ -320,6 +320,12 @@ class DAGLayer(KerasLayer):
		self.n_graph_feat, self.n_atom_feat, self.max_atoms, self.layer_sizes,
		self.init, self.activation, self.dropout, self.batch_size)

		def create_tensor(self, in_layers=None, set_tensors=True, **kwargs):
		inputs = self._get_input_tensors(in_layers)
		training = kwargs['training'] if 'training' in kwargs else 1.0
		inputs.append(training)
		return super(DAGLayer, self).create_tensor(inputs, set_tensors, **kwargs)


		class DAGGather(KerasLayer):
		""" TensorGraph style implementation
		@@ -368,6 +374,12 @@ class DAGGather(KerasLayer):
		self.n_graph_feat, self.n_outputs, self.max_atoms, self.layer_sizes,
		self.init, self.activation, self.dropout)

		def create_tensor(self, in_layers=None, set_tensors=True, **kwargs):
		inputs = self._get_input_tensors(in_layers)
		training = kwargs['training'] if 'training' in kwargs else 1.0
		inputs.append(training)
		return super(DAGGather, self).create_tensor(inputs, set_tensors, **kwargs)


		class MessagePassing(KerasLayer):
		""" General class for MPNN

+1 −1

Original line number	Diff line number	Diff line
		@@ -1112,7 +1112,7 @@ class TestLayers(test_util.TensorFlowTestCase):
		activation=activation,
		init=init_method,
		layer_sizes=layer_sizes)
		dag_gather.create_tensor(in_layers=[atom_features_tf, membership_tf])
		dag_gather.create_tensor(in_layers=[atom_features_tf, membership_tf, 0])

		sess.run(tf.global_variables_initializer())
		output = dag_gather.out_tensor.eval()