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Commit 822cc987 authored by Jason Swails's avatar Jason Swails
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Fix Simulation construction.

parent b4488289
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Showing with 4 additions and 4 deletions
wrappers/python/simtk/openmm/app/simulation.py
View file @ 822cc987
...@@ -95,17 +95,17 @@ class Simulation(object): ...@@ -95,17 +95,17 @@ class Simulation(object):
self.reporters = [] self.reporters = []
if platform is None: if platform is None:
## The Context containing the current state of the simulation ## The Context containing the current state of the simulation
self.context = mm.Context(system, integrator) self.context = mm.Context(self.system, self.integrator)
elif platformProperties is None: elif platformProperties is None:
self.context = mm.Context(system, integrator, platform) self.context = mm.Context(self.system, self.integrator, platform)
else: else:
self.context = mm.Context(system, integrator, platform, platformProperties) self.context = mm.Context(self.system, self.integrator, platform, platformProperties)
if state is not None: if state is not None:
with open(state, 'r') as f: with open(state, 'r') as f:
self.context.setState(mm.XmlSerializer.deserialize(f.read())) self.context.setState(mm.XmlSerializer.deserialize(f.read()))
## Determines whether or not we are using PBC. If no Topology is provided, take it from the System ## Determines whether or not we are using PBC. If no Topology is provided, take it from the System
if topology is None: if topology is None:
self._usesPBC = system.usesPeriodicBoundaryConditions() self._usesPBC = self.system.usesPeriodicBoundaryConditions()
else: else:
self._usesPBC = topology.getUnitCellDimensions() is not None self._usesPBC = topology.getUnitCellDimensions() is not None
......
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