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Commit 24cb7109 authored by peastman's avatar peastman
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Fixed a potential divide by zero

parent e8718a1f
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wrappers/python/simtk/openmm/app/statedatareporter.py
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...@@ -201,9 +201,12 @@ class StateDataReporter(object): ...@@ -201,9 +201,12 @@ class StateDataReporter(object):
if self._density: if self._density:
values.append((self._totalMass/volume).value_in_unit(unit.gram/unit.item/unit.milliliter)) values.append((self._totalMass/volume).value_in_unit(unit.gram/unit.item/unit.milliliter))
if self._speed: if self._speed:
elapsedDays = (clockTime-self._initialClockTime)/86400 elapsedDays = (clockTime-self._initialClockTime)/86400.0
elapsedNs = (state.getTime()-self._initialSimulationTime).value_in_unit(unit.nanosecond) elapsedNs = (state.getTime()-self._initialSimulationTime).value_in_unit(unit.nanosecond)
if elapsedDays > 0.0:
values.append('%.3g' % (elapsedNs/elapsedDays)) values.append('%.3g' % (elapsedNs/elapsedDays))
else:
values.append('--')
if self._remainingTime: if self._remainingTime:
elapsedSeconds = clockTime-self._initialClockTime elapsedSeconds = clockTime-self._initialClockTime
elapsedSteps = simulation.currentStep-self._initialSteps elapsedSteps = simulation.currentStep-self._initialSteps
......
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