Unverified Commit 3f3bba3f authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
Browse files

Throw exception when specifying properties without a Platform (#4130)

parent 5e913400
...@@ -6,7 +6,7 @@ Simbios, the NIH National Center for Physics-Based Simulation of ...@@ -6,7 +6,7 @@ Simbios, the NIH National Center for Physics-Based Simulation of
Biological Structures at Stanford, funded under the NIH Roadmap for Biological Structures at Stanford, funded under the NIH Roadmap for
Medical Research, grant U54 GM072970. See https://simtk.org. Medical Research, grant U54 GM072970. See https://simtk.org.
Portions copyright (c) 2012-2020 Stanford University and the Authors. Portions copyright (c) 2012-2023 Stanford University and the Authors.
Authors: Peter Eastman Authors: Peter Eastman
Contributors: Contributors:
...@@ -73,7 +73,8 @@ class Simulation(object): ...@@ -73,7 +73,8 @@ class Simulation(object):
If not None, the OpenMM Platform to use If not None, the OpenMM Platform to use
platformProperties : map=None platformProperties : map=None
If not None, a set of platform-specific properties to pass to the If not None, a set of platform-specific properties to pass to the
Context's constructor Context's constructor. This argument may only be used if a specific
Platform is specified.
state : XML file name=None state : XML file name=None
The name of an XML file containing a serialized State. If not None, The name of an XML file containing a serialized State. If not None,
the information stored in state will be transferred to the generated the information stored in state will be transferred to the generated
...@@ -95,6 +96,8 @@ class Simulation(object): ...@@ -95,6 +96,8 @@ class Simulation(object):
## A list of reporters to invoke during the simulation ## A list of reporters to invoke during the simulation
self.reporters = [] self.reporters = []
if platform is None: if platform is None:
if platformProperties is not None:
raise ValueError('Cannot specify platform-specific properties, because the Platform is not specified')
## The Context containing the current state of the simulation ## The Context containing the current state of the simulation
self.context = mm.Context(self.system, self.integrator) self.context = mm.Context(self.system, self.integrator)
elif platformProperties is None: elif platformProperties is None:
......
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