Make partition_functions_for_all_configurations a LazyProperty

Author: singularitti

qha/multi_configurations/different_phonon_dos.py

@@ -127,6 +127,7 @@ def partition_functions_for_each_configuration(self):
             exp = np.vectorize(bigfloat.exp)
             return exp(-self.aligned_free_energies_for_each_configuration / (K * self.temperature))
 
+    @LazyProperty
     def partition_functions_for_all_configurations(self):
         """
         Sum the partition functions for all configurations.
@@ -164,5 +165,5 @@ def get_free_energies(self):
             raise ImportError("Install ``bigfloat`` package to use {0} object!".format(self.__class__.__name__))
 
         with bigfloat.precision(self.precision):
-            log_z = np.array([bigfloat.log(d) for d in self.partition_functions_for_all_configurations()], dtype=float)
+            log_z = np.array([bigfloat.log(d) for d in self.partition_functions_for_all_configurations], dtype=float)
         return -K * self.temperature * log_z

qha/tests/test_different_phonon_dos.py

@@ -72,7 +72,7 @@ def test_partition_function(self):
                          (52, 6))  # (# of configurations, # of volumes)
         self.assertEqual(self.partition_function.partition_functions_for_each_configuration.shape,
                          (52, 6))  # (# of configurations, # of volumes)
-        self.assertEqual(self.partition_function.partition_functions_for_all_configurations().shape,
+        self.assertEqual(self.partition_function.partition_functions_for_all_configurations.shape,
                          (6,))  # (# of volumes,)
         np.testing.assert_array_almost_equal(self.partition_function.get_free_energies(),
                                              [-550.74580132, -550.70964062, -550.37436235, -549.87365787, -549.43586034,