Commit f3be4bbc authored by Jason Swails's avatar Jason Swails
Browse files

Fix test

parent 12b839b2
...@@ -103,7 +103,10 @@ class TestForceField(unittest.TestCase): ...@@ -103,7 +103,10 @@ class TestForceField(unittest.TestCase):
system2 = self.forcefield1.createSystem(topology, constraints=HAngles, system2 = self.forcefield1.createSystem(topology, constraints=HAngles,
rigidWater=True, flexibleConstraints=True) rigidWater=True, flexibleConstraints=True)
validateConstraints(self, topology, system1, HAngles, True) validateConstraints(self, topology, system1, HAngles, True)
validateConstraints(self, topology, system2, HAngles, True) # validateConstraints fails for system2 since by definition atom pairs can be in both bond
# and constraint lists. So just check that the number of constraints is the same for both
# system1 and system2
self.assertEqual(system1.getNumConstraints(), system2.getNumConstraints())
for force in system1.getForces(): for force in system1.getForces():
if isinstance(force, HarmonicBondForce): if isinstance(force, HarmonicBondForce):
bf1 = force bf1 = force
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment