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.")