diff --git a/gmso/tests/base_test.py b/gmso/tests/base_test.py index a91d410e4..849bcab27 100644 --- a/gmso/tests/base_test.py +++ b/gmso/tests/base_test.py @@ -165,6 +165,24 @@ def _typed_topology(n_sites=100): return _typed_topology + @pytest.fixture + def spce_water(self): + spce_comp = mb.lib.molecules.water.WaterSPC() + spce_ff = ForceField(get_fn("spce.xml")) + spce_top = spce_comp.to_gmso() + spce_top.identify_connections() + + spce_top = apply(spce_top, spce_ff, remove_untyped=True) + + for site in spce_top.sites: + site.restraint = { + "kx": 1000 * u.Unit("kJ/(mol*nm**2)"), + "ky": 1000 * u.Unit("kJ/(mol*nm**2)"), + "kz": 1000 * u.Unit("kJ/(mol*nm**2)"), + } + + return spce_top + @pytest.fixture def water_system(self): water = Topology(name="water")