def test_query(self):
m = CrystalAIRester()
models = m.get_available_models()
self.assertIn("formation_energy", models)
self.assertIn("band_gap", models)
self.assertIn("log10K", models)
self.assertAlmostEqual(m.predict_mp("formation_energy", "mp-1143"),
-3.446291923522949)
s = PymatgenTest.get_structure("Li2O")
self.assertAlmostEqual(m.predict_structure("formation_energy", s),
-2.015296220779419)
def test_query(self):
m = CrystalAIRester()
models = m.get_available_models()
self.assertIn("formation_energy", models)
self.assertIn("band_gap", models)
self.assertIn("log10K", models)
self.assertAlmostEqual(m.predict_mp("formation_energy", "mp-1143"),
-3.446291923522949)
s = PymatgenTest.get_structure("Li2O")
self.assertAlmostEqual(m.predict_structure("formation_energy", s),
-2.015296220779419)