def test_super_evaluate(self): """ Tests the graph's composite material evaluation. """ mpr = MPRester() m1 = mpr.get_material_for_mpid("mp-13") m2 = mpr.get_material_for_mpid("mp-24972") sm = CompositeMaterial([m1, m2]) g = Graph() sm = g.super_evaluate(sm) self.assertTrue( 'pilling_bedworth_ratio' in sm._symbol_to_quantity.keys(), "Super Evaluate failed to derive expected outputs.") self.assertTrue( len(sm._symbol_to_quantity['pilling_bedworth_ratio']) > 0, "Super Evaluate failed to derive expected outputs.")
def test_super_evaluate(self): """ Tests the graph's composite material evaluation. """ mpr = MPRester() m1 = mpr.get_material_for_mpid("mp-13") # Temporary hack for problem with zero band-gap materials m1.remove_symbol("band_gap_pbe") m1.add_quantity(Quantity("band_gap", 0.0)) m2 = mpr.get_material_for_mpid("mp-24972") sm = CompositeMaterial([m1, m2]) g = Graph() sm = g.super_evaluate(sm, allow_model_failure=False) self.assertTrue('pilling_bedworth_ratio' in sm._symbol_to_quantity.keys(), "Super Evaluate failed to derive expected outputs.") self.assertTrue(len(sm._symbol_to_quantity['pilling_bedworth_ratio']) > 0, "Super Evaluate failed to derive expected outputs.")