jhprinz · Oct 14, 2015 · Jun 29, 2015 · Jun 29, 2015 · Jun 30, 2015 · Jul 1, 2015
diff --git a/examples/ipython/multistate_system_setup.ipynb b/examples/ipython/multistate_system_setup.ipynb
diff --git a/openpathsampling/.gitignore b/openpathsampling/.gitignore
@@ -5,3 +5,4 @@ version.py
 
 # ignore tag files
 tags
+version.py
diff --git a/openpathsampling/analysis/move_scheme.py b/openpathsampling/analysis/move_scheme.py
@@ -186,6 +186,10 @@ def find_hidden_ensembles(self, root=None):
         """
         All ensembles which exist in the move scheme but not in the network.
 
+        Hidden ensembles are typically helper ensembles for moves; for
+        example, the minus move uses a "segment" helper ensemble which is
+        almost, but not quite, the innermost interface ensemble.
+
         Parameters
         ----------
         root : PathMover
@@ -207,6 +211,10 @@ def find_unused_ensembles(self, root=None):
         """
         All ensembles which exist in the network but not in the move scheme.
 
+        Not all move schemes will use all the ensembles. For example, a move
+        scheme might choose not to use the network's automatically generated
+        minus ensemble or multistate ensemble.
+
         Parameters
         ----------
         root : PathMover
@@ -224,6 +232,16 @@ def find_unused_ensembles(self, root=None):
         unused_ensembles = unhidden_ensembles - mover_ensembles
         return unused_ensembles
 
+    def find_used_ensembles(self, root=None):
+        """
+        All ensembles which are both in the network and in the move scheme.
+
+        """
+        unhidden_ensembles = set(self.network.all_ensembles)
+        mover_ensembles = set(self.ensembles_for_move_tree(root))
+        used_ensembles = unhidden_ensembles & mover_ensembles
+        return used_ensembles
+
     def check_for_root(self, fcn_name):
         """
         Raises runtime warning if self.root_mover not set.
@@ -486,11 +504,13 @@ class DefaultScheme(MoveScheme):
     """
     def __init__(self, network):
         super(DefaultScheme, self).__init__(network)
+        n_ensembles = len(network.transition_ensembles)
         self.append(strategies.NearestNeighborRepExStrategy())
         self.append(strategies.OneWayShootingStrategy())
         self.append(strategies.PathReversalStrategy())
-        self.append(strategies.DefaultStrategy())
         self.append(strategies.MinusMoveStrategy())
+        global_strategy = strategies.OrganizeByMoveGroupStrategy()
+        self.append(global_strategy)
 
         msouters = self.network.special_ensembles['ms_outer']
         for ms in msouters.keys():
@@ -507,4 +527,6 @@ def __init__(self, network):
             self.append(strategies.SelectedPairsRepExStrategy(
                 ensembles=pairs
             ))
+        #ms_outer_shoot_w = float(len(msouters)) / n_ensembles
+        #global_strategy.group_weights['ms_outer_shooting'] = ms_outer_shoot_w
Original file line number	Diff line number	Diff line change
Expand Up		@@ -5,3 +5,4 @@ version.py

		# ignore tag files
		tags
		version.py