Merge pull request #87 from openforcefield/remove_surrogate_template

Remove the Surrogate Calculation Layer Template.

Author: SimonBoothroyd

propertyestimator/client.py

@@ -11,7 +11,7 @@
 from tornado.iostream import StreamClosedError
 from tornado.tcpclient import TCPClient
 
-from propertyestimator.layers import SurrogateLayer, ReweightingLayer, SimulationLayer
+from propertyestimator.layers import ReweightingLayer, SimulationLayer
 from propertyestimator.properties.plugins import registered_properties
 from propertyestimator.utils.serialization import TypedBaseModel
 from propertyestimator.utils.tcp import PropertyEstimatorMessageTypes, pack_int, unpack_int
@@ -69,7 +69,6 @@ def __init__(self, allowed_calculation_layers=None,
         if allowed_calculation_layers is None:
 
             self.allowed_calculation_layers = [
-                SurrogateLayer.__name__,
                 ReweightingLayer.__name__,
                 SimulationLayer.__name__
             ]

propertyestimator/layers/__init__.py

@@ -1,4 +1,3 @@
 from .layers import available_layers, register_calculation_layer, PropertyCalculationLayer
 from .simulation import SimulationLayer
 from .reweighting import ReweightingLayer
-from .surrogate import SurrogateLayer