Fix DeepLearningModel base and rerun some of the examples.

muammar · Mar 7, 2020 · 5bc7808 · 5bc7808
1 parent 454552c
commit 5bc7808
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Showing 23 changed files with 1,110 additions and 724 deletions.
diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -13,21 +13,22 @@
 # documentation root, use os.path.abspath to make it absolute, like shown here.
 #
 
+import os
+import sys
+sys.path.insert(0, os.path.abspath("../../"))
+
 try:
     import torch
 except ModuleNotFoundError:
-    import os
-    import sys
     from unittest.mock import MagicMock
 
-    sys.path.insert(0, os.path.abspath("../../"))
 
     class Mock(MagicMock):
        @classmethod
        def __getattr__(cls, name):
            return MagicMock()
 
-    MOCK_MODULES = ['torch', "torch.optim"]
+    MOCK_MODULES = ['torch', "torch.optim", "torch.nn.Module"]
 
     sys.modules.update((mod_name, Mock()) for mod_name in MOCK_MODULES)
 

diff --git a/examples/autoencoder/cu_training.latent b/examples/autoencoder/cu_training.latent
diff --git a/examples/autoencoder/cu_training.log b/examples/autoencoder/cu_training.log
diff --git a/examples/autoencoder/cu_training.py b/examples/autoencoder/cu_training.py
@@ -3,7 +3,7 @@
 sys.path.append("../../")
 from ase.io import Trajectory
 from dask.distributed import Client, LocalCluster
-from ml4chem import Potentials
+from ml4chem.atomistic import Potentials
 from ml4chem.data.handler import Data
 from ml4chem.atomistic.features import Gaussian
 from ml4chem.atomistic.models.autoencoders import AutoEncoder, train

diff --git a/examples/gp_potentials/cu_inference.py b/examples/gp_potentials/cu_inference.py
@@ -3,7 +3,7 @@
 sys.path.append("../../")
 from ase.io import Trajectory
 from dask.distributed import Client, LocalCluster
-from ml4chem import Potentials
+from ml4chem.atomistic import Potentials
 from ml4chem.utils import logger
 
 

diff --git a/examples/gp_potentials/cu_training.py b/examples/gp_potentials/cu_training.py
@@ -3,7 +3,7 @@
 from dask.distributed import Client, LocalCluster
 
 sys.path.append("../../")
-from ml4chem import Potentials
+from ml4chem.atomistic import Potentials
 from ml4chem.atomistic.features import Gaussian
 from ml4chem.atomistic.models.gaussian_process import GaussianProcess
 from ml4chem.utils import logger