Added missing keyword arguments to graph layers (95130cfe) · Commits · 钟慕尧 / deepchem

deepchem/models/tensorgraph/graph_layers.py

+9 −9

Original line number	Diff line number	Diff line
		@@ -25,7 +25,7 @@ class Combine_AP(Layer):
		def __init__(self, **kwargs):
		super(Combine_AP, self).__init__(**kwargs)

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		if in_layers is None:
		in_layers = self.in_layers
		in_layers = convert_to_layers(in_layers)
		@@ -39,7 +39,7 @@ class Separate_AP(Layer):
		def __init__(self, **kwargs):
		super(Separate_AP, self).__init__(**kwargs)

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		if in_layers is None:
		in_layers = self.in_layers
		in_layers = convert_to_layers(in_layers)
		@@ -147,7 +147,7 @@ class WeaveLayer(Layer):
		self.trainable_weights.extend(
		[self.W_AP, self.b_AP, self.W_PP, self.b_PP, self.W_P, self.b_P])

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		""" description and explanation refer to deepchem.nn.WeaveLayer
		parent layers: [atom_features, pair_features], pair_split, atom_to_pair
		"""
		@@ -241,7 +241,7 @@ class WeaveGather(Layer):
		else:
		self.trainable_weights = None

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		""" description and explanation refer to deepchem.nn.WeaveGather
		parent layers: atom_features, atom_split
		"""
		@@ -312,7 +312,7 @@ class DTNNEmbedding(Layer):
		[self.periodic_table_length, self.n_embedding])
		self.trainable_weights = [self.embedding_list]

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		"""description and explanation refer to deepchem.nn.DTNNEmbedding
		parent layers: atom_number
		"""
		@@ -375,7 +375,7 @@ class DTNNStep(Layer):
		self.W_cf, self.W_df, self.W_fc, self.b_cf, self.b_df
		]

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		"""description and explanation refer to deepchem.nn.DTNNStep
		parent layers: atom_features, distance, distance_membership_i, distance_membership_j
		"""
		@@ -461,7 +461,7 @@ class DTNNGather(Layer):

		self.trainable_weights = self.W_list + self.b_list

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		"""description and explanation refer to deepchem.nn.DTNNGather
		parent layers: atom_features, atom_membership
		"""
		@@ -548,7 +548,7 @@ class DAGLayer(Layer):

		self.trainable_weights = self.W_list + self.b_list

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		"""description and explanation refer to deepchem.nn.DAGLayer
		parent layers: atom_features, parents, calculation_orders, calculation_masks, n_atoms
		"""
		@@ -686,7 +686,7 @@ class DAGGather(Layer):

		self.trainable_weights = self.W_list + self.b_list

		def create_tensor(self, in_layers=None):
		def create_tensor(self, in_layers=None, **kwargs):
		"""description and explanation refer to deepchem.nn.DAGGather
		parent layers: atom_features, membership
		"""

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