def test_apply_transformation(self):
s = self.get_structure("Li2O2")
sd = [[True, True, True] for site in s.sites]
bader = np.random.random(s.num_sites).tolist()
site_props = {"selective_dynamics": sd, "bader": bader}
trans = AddSitePropertyTransformation(site_props)
manually_set = s.copy()
for prop, value in site_props.items():
manually_set.add_site_property(prop, value)
trans_set = trans.apply_transformation(s)
for prop in site_props:
self.assertArrayAlmostEqual(trans_set.site_properties[prop], manually_set.site_properties[prop])
def test_apply_transformation(self):
s = self.get_structure("Li2O2")
sd = [[True, True, True] for site in s.sites]
bader = np.random.random(s.num_sites).tolist()
site_props = {"selective_dynamics" : sd, "bader": bader}
trans = AddSitePropertyTransformation(site_props)
manually_set = s.copy()
for prop, value in site_props.items():
manually_set.add_site_property(prop, value)
trans_set = trans.apply_transformation(s)
for prop in site_props:
self.assertArrayAlmostEqual(trans_set.site_properties[prop],
manually_set.site_properties[prop])