Commit fce85f6d authored by peastman's avatar peastman
Browse files

Fixed python API for DrudeLangevinIntegrator

parent 469cdcaf
...@@ -425,6 +425,7 @@ UNITS = { ...@@ -425,6 +425,7 @@ UNITS = {
("System", "getForce") : (None, ()), ("System", "getForce") : (None, ()),
("System", "getVirtualSite") : (None, ()), ("System", "getVirtualSite") : (None, ()),
("DrudeLangevinIntegrator", "getDrudeTemperature") : ("unit.kelvin", ()), ("DrudeLangevinIntegrator", "getDrudeTemperature") : ("unit.kelvin", ()),
("DrudeLangevinIntegrator", "getMaxDrudeDistance") : ("unit.nanometer", ()),
("MonteCarloMembraneBarostat", "getXYMode") : (None, ()), ("MonteCarloMembraneBarostat", "getXYMode") : (None, ()),
("MonteCarloMembraneBarostat", "getZMode") : (None, ()), ("MonteCarloMembraneBarostat", "getZMode") : (None, ()),
("DrudeLangevinIntegrator", "getDrudeFriction") : ("1/unit.picosecond", ()), ("DrudeLangevinIntegrator", "getDrudeFriction") : ("1/unit.picosecond", ()),
......
...@@ -1200,6 +1200,9 @@ class TestAPIUnits(unittest.TestCase): ...@@ -1200,6 +1200,9 @@ class TestAPIUnits(unittest.TestCase):
self.assertEqual(integrator.getStepSize(), 0.1*femtosecond) self.assertEqual(integrator.getStepSize(), 0.1*femtosecond)
integrator.setStepSize(0.0005) integrator.setStepSize(0.0005)
self.assertEqual(integrator.getStepSize(), 0.0005*picosecond) self.assertEqual(integrator.getStepSize(), 0.0005*picosecond)
self.assertEqual(integrator.getMaxDrudeDistance(), 0*nanometer)
integrator.setMaxDrudeDistance(0.05)
self.assertEqual(integrator.getMaxDrudeDistance(), 0.05*nanometer)
def testCustomIntegrator(self): def testCustomIntegrator(self):
""" Tests the CustomIntegrator API features """ """ Tests the CustomIntegrator API features """
......
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