Example #1
0
 def test_is_all_zeros(self):
     """Test whether a ThermoData object has all zero values"""
     td1 = ThermoData(
         Tdata=([300, 400, 500, 600, 800, 1000, 1500], "K"),
         Cpdata=([0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "J/(mol*K)"),
         H298=(0.0, "kJ/mol"),
         S298=(0.0, "J/(mol*K)"),
     )
     td2 = ThermoData(
         Tdata=([300, 400, 500, 600, 800, 1000, 1500], "K"),
         Cpdata=([0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "J/(mol*K)"),
         H298=(3.0, "kJ/mol"),
         S298=(0.0, "J/(mol*K)"),
     )
     td3 = ThermoData(
         Tdata=([300, 400, 500, 600, 800, 1000, 1500], "K"),
         Cpdata=([0.0, 0.0, 8.0, 0.0, 0.0, 0.0, 0.0], "J/(mol*K)"),
         H298=(0.0, "kJ/mol"),
         S298=(0.0, "J/(mol*K)"),
     )
     td4 = ThermoData(
         Tdata=([300, 400, 500, 600, 800, 1000, 1500], "K"),
         Cpdata=([0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "J/(mol*K)"),
         H298=(0.0, "kJ/mol"),
         S298=(5.0, "J/(mol*K)"),
     )
     td5 = ThermoData(
         Tdata=([300, 400, 500, 600, 800, 1000, 1500], "K"),
         Cpdata=([0.0, 78.0, 0.0, 0.0, 0.0, 0.0, 0.0], "J/(mol*K)"),
         H298=(3.0, "kJ/mol"),
         S298=(7.0, "J/(mol*K)"),
     )
     self.assertTrue(td1.is_all_zeros())
     self.assertFalse(td2.is_all_zeros())
     self.assertFalse(td3.is_all_zeros())
     self.assertFalse(td4.is_all_zeros())
     self.assertFalse(td5.is_all_zeros())