test for set_up_predictor

Author: corochann

chainer_chemistry/models/prediction/set_up_predictor.py

@@ -135,7 +135,7 @@ def set_up_predictor(
         print('Training a GNN_FiLM predictor...')
         conv = GNNFiLM(
             out_dim=n_unit,
-            hidden_dim=n_unit,
+            hidden_channels=n_unit,
             n_update_layers=conv_layers,
             n_edge_types=5,
             **conv_kwargs)

tests/functions_tests/loss/test_mean_absolute_error.py

@@ -118,7 +118,8 @@ def check_backward_ignore_nan(inputs):
     def func(x0, x1):
         return chainer_chemistry.functions.mean_absolute_error(x0, x1,
                                                                ignore_nan=True)
-    gradient_check.check_backward(func, (x0_data, x2_data), None, eps=1e-2)
+    gradient_check.check_backward(func, (x0_data, x2_data), None, eps=1e-2,
+                                  atol=1e-3, rtol=1e-3)
 
 
 def check_backward_ignore_nan_with_nonnan_value(inputs):

tests/models_tests/prediction_tests/test_set_up_predictor.py

@@ -5,6 +5,7 @@
 
 from chainer_chemistry.models.ggnn import GGNN
 from chainer_chemistry.models.gin import GIN
+from chainer_chemistry.models.gnn_film import GNNFiLM
 from chainer_chemistry.models.nfp import NFP
 from chainer_chemistry.models.prediction.graph_conv_predictor import GraphConvPredictor  # NOQA
 from chainer_chemistry.models.prediction.set_up_predictor import set_up_predictor  # NOQA
@@ -39,7 +40,8 @@ def models_dict():
         'nfp_gwm': NFP_GWM,
         'ggnn_gwm': GGNN_GWM,
         'rsgcn_gwm': RSGCN_GWM,
-        'gin_gwm': GIN_GWM
+        'gin_gwm': GIN_GWM,
+        'gnnfilm': GNNFiLM
     }