def test_convert_to_ieee(self): for xtal in self.ieee_data.keys(): orig = TensorBase(self.ieee_data[xtal]['original_tensor']) ieee = TensorBase(self.ieee_data[xtal]['ieee_tensor']) struct = Structure.from_dict(self.ieee_data[xtal]['structure']) diff = np.max(abs(ieee - orig.convert_to_ieee(struct))) err_msg = "{} IEEE conversion failed with max diff {}".format( xtal, diff) self.assertArrayAlmostEqual(ieee, orig.convert_to_ieee(struct), err_msg = err_msg, decimal=3)
def test_convert_to_ieee(self): for entry in self.ieee_data: xtal = entry['xtal'] orig = TensorBase(entry['original_tensor']) ieee = TensorBase(entry['ieee_tensor']) struct = Structure.from_dict(entry['structure']) diff = np.max(abs(ieee - orig.convert_to_ieee(struct))) err_msg = "{} IEEE conversion failed with max diff {}".format( xtal, diff) self.assertArrayAlmostEqual(ieee, orig.convert_to_ieee(struct), err_msg = err_msg, decimal=3)
def test_convert_to_ieee(self): for xtal in self.ieee_data.keys(): orig = TensorBase(self.ieee_data[xtal]['original_tensor']) ieee = TensorBase(self.ieee_data[xtal]['ieee_tensor']) struct = Structure.from_dict(self.ieee_data[xtal]['structure']) self.assertArrayAlmostEqual(ieee, orig.convert_to_ieee(struct))