Fixed TestMetadynamics

wrappers/python/simtk/openmm/app/metadynamics.py

@@ -293,6 +293,8 @@ class BiasVariable(object):
         self.minValue = self._standardize(minValue)
         self.maxValue = self._standardize(maxValue)
         self.biasWidth = self._standardize(biasWidth)
+        if not isinstance(periodic, Bool):
+            raise ValueError("BiasVariable: invalid argument")
         self.periodic = periodic
         if gridWidth is None:
             self.gridWidth = int(np.ceil(5*(maxValue-minValue)/biasWidth))

wrappers/python/tests/TestMetadynamics.py

@@ -16,9 +16,10 @@ class TestMetadynamics(unittest.TestCase):
         system.addForce(force)
         cv = CustomBondForce('r')
         cv.addBond(0, 1)
-        bias = BiasVariable(cv, 0.94, 1.06, 0.02)
+        bias = BiasVariable(cv, 0.94, 1.06, 0.00431, gridWidth=31)
         meta = Metadynamics(system, [bias], 300*kelvin, 2.0, 5.0, 10)
         integrator = LangevinIntegrator(300*kelvin, 10/picosecond, 0.001*picosecond)
+        integrator.setRandomNumberSeed(4321)
         topology = Topology()
         chain = topology.addChain()
         residue = topology.addResidue('H2', chain)