fix the bug of loading dp model to the default tf graph

Author: Han Wang

source/train/DataModifier.py

@@ -22,7 +22,10 @@ def __init__(self,
         # the dipole model is loaded with prefix 'dipole_charge'
         self.modifier_prefix = 'dipole_charge'
         # init dipole model
-        DeepDipole.__init__(self, model_name, load_prefix = self.modifier_prefix)
+        DeepDipole.__init__(self, 
+                            model_name, 
+                            load_prefix = self.modifier_prefix, 
+                            default_tf_graph = True)
         self.model_name = model_name
         self.model_charge_map = model_charge_map
         self.sys_charge_map = sys_charge_map

source/train/DeepDipole.py

@@ -5,6 +5,7 @@
 class DeepDipole (DeepTensor) :
     def __init__(self, 
                  model_file, 
-                 load_prefix = 'load') :
-        DeepTensor.__init__(self, model_file, 'dipole', 3, load_prefix = load_prefix)
+                 load_prefix = 'load', 
+                 default_tf_graph = False) :
+        DeepTensor.__init__(self, model_file, 'dipole', 3, load_prefix = load_prefix, default_tf_graph = default_tf_graph)
 

source/train/DeepEval.py

@@ -13,17 +13,18 @@ class DeepEval():
     """
     def __init__(self, 
                  model_file, 
-                 load_prefix = 'load') :
-        self.graph = self._load_graph (model_file, prefix = load_prefix)
+                 load_prefix = 'load', 
+                 default_tf_graph = False) :
+        self.graph = self._load_graph (model_file, prefix = load_prefix, default_tf_graph = default_tf_graph)
         t_mt = self.graph.get_tensor_by_name(os.path.join(load_prefix, 'model_attr/model_type:0'))
         sess = tf.Session (graph = self.graph, config=default_tf_session_config)
         [mt] = sess.run([t_mt], feed_dict = {})
         self.model_type = mt.decode('utf-8')
 
     def _load_graph(self, 
-                   frozen_graph_filename, 
-                   prefix = 'load', 
-                   default_tf_graph = True):
+                    frozen_graph_filename, 
+                    prefix = 'load', 
+                    default_tf_graph = False):
         # We load the protobuf file from the disk and parse it to retrieve the 
         # unserialized graph_def
         with tf.gfile.GFile(frozen_graph_filename, "rb") as f:
@@ -102,8 +103,9 @@ def __init__(self,
                  model_file, 
                  variable_name,                  
                  variable_dof, 
-                 load_prefix = 'load') :
-        DeepEval.__init__(self, model_file, load_prefix = load_prefix)
+                 load_prefix = 'load', 
+                 default_tf_graph = False) :
+        DeepEval.__init__(self, model_file, load_prefix = load_prefix, default_tf_graph = default_tf_graph)
         # self.model_file = model_file
         # self.graph = self.load_graph (self.model_file)
         self.variable_name = variable_name

source/train/DeepPolar.py

@@ -4,14 +4,16 @@
 
 class DeepPolar (DeepTensor) :
     def __init__(self, 
-                 model_file) :
-        DeepTensor.__init__(self, model_file, 'polar', 9)
+                 model_file, 
+                 default_tf_graph = False) :
+        DeepTensor.__init__(self, model_file, 'polar', 9, default_tf_graph = default_tf_graph)
 
 
 class DeepGlobalPolar (DeepTensor) :
     def __init__(self, 
-                 model_file) :
-        DeepTensor.__init__(self, model_file, 'global_polar', 9)
+                 model_file, 
+                 default_tf_graph = False) :
+        DeepTensor.__init__(self, model_file, 'global_polar', 9, default_tf_graph = default_tf_graph)
 
     def eval(self,
              coords, 

source/train/DeepPot.py

@@ -9,8 +9,9 @@
 
 class DeepPot (DeepEval) :
     def __init__(self, 
-                 model_file) :
-        DeepEval.__init__(self, model_file)
+                 model_file, 
+                 default_tf_graph = False) :
+        DeepEval.__init__(self, model_file, default_tf_graph = default_tf_graph)
         # self.model_file = model_file
         # self.graph = self.load_graph (self.model_file)
         # checkout input/output tensors from graph

source/train/DeepWFC.py

@@ -4,6 +4,7 @@
 
 class DeepWFC (DeepTensor) :
     def __init__(self, 
-                 model_file) :
-        DeepTensor.__init__(self, model_file, 'wfc', 12)
+                 model_file, 
+                 default_tf_graph = False) :
+        DeepTensor.__init__(self, model_file, 'wfc', 12, default_tf_graph = default_tf_graph)