Tweaked docstrings for better descriptions.
@@ -331,7 +331,8 @@ class TestExternalPerturbationLangevinIntegrator(TestCase):
def run_ncmc(self, context, integrator, temperature, nsteps, parameter_name, parameter_initial, parameter_final):
"""
- A simple example of NCMC to be used with unit tests
+ A simple example of NCMC to be used with unit tests. The protocol work should be reset each time this command
+ is called.
Returns
-------
@@ -381,7 +382,7 @@ class TestExternalPerturbationLangevinIntegrator(TestCase):
def test_reset_protocol_work(self):
"""
Make sure the protocol work that is accumulated internally by the langevin integrator matches the protocol
- work that is calculated with getState().
+ is correctly reset with the reset_protocol_work() command.
"""
from simtk.openmm import app
parameter_name = 'lambda_electrostatics'
