Fix bug introduced in last commit
@@ -1360,12 +1360,13 @@ class TestAbsoluteAlchemicalFactory(object):
cls.test_regions['Toluene'] = AlchemicalRegion(alchemical_atoms=range(6)) # Only partially modified.
cls.test_regions['AlanineDipeptide'] = AlchemicalRegion(alchemical_atoms=range(22))
cls.test_regions['HostGuestExplicit'] = AlchemicalRegion(alchemical_atoms=range(126, 156))
+ cls.test_regions['TIP3P WaterBox'] = AlchemicalRegion(alchemical_atoms=range(0,3))
# Modify ions.
for atom in cls.test_systems['TIP4P-EW WaterBox and NaCl with PME'].topology.atoms():
if atom.name in ['Na', 'Cl']:
cls.test_regions['TIP4P-EW WaterBox and NaCl'] = AlchemicalRegion(alchemical_atoms=range(atom.index, atom.index+1))
-
+ break
@classmethod
def generate_cases(cls):
