mirror of
https://github.com/openmm/openmm
synced 2026-06-03 06:39:48 +09:00
e62bdf6adb
* Can use getPlatform() instead of getPlatformByName() * More concise arguments for getState()
31 lines
959 B
Python
31 lines
959 B
Python
import unittest
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import openmm as mm
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class TestBytes(unittest.TestCase):
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def test_createCheckpoint(self):
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system = mm.System()
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system.addParticle(1.0)
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refPositions = [(0,0,0)]
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platform = mm.Platform.getPlatform('Reference')
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context = mm.Context(system, mm.VerletIntegrator(0), platform)
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context.setPositions(refPositions)
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chk = context.createCheckpoint()
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# check that the return value of createCheckpoint is of type bytes (non-unicode)
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assert isinstance(chk, bytes)
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# set the positions to something random then reload the checkpoint, and
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# make sure that the positions get restored correctly
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context.setPositions([(12345, 12345, 123451)])
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context.loadCheckpoint(chk)
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newPositions = context.getState(getPositions=True).getPositions()._value
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assert newPositions == refPositions
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if __name__ == '__main__':
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unittest.main()
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