Adjust benchmark tests to query for melting point

pyiron · Feb 5, 2024 · a50ea1d · a50ea1d
1 parent 2a528c3
commit a50ea1d
Showing 1 changed file with 6 additions and 6 deletions.
diff --git a/test_benchmarks/atomistics/structure/test_atoms.py b/test_benchmarks/atomistics/structure/test_atoms.py
@@ -22,17 +22,17 @@ def test_cached_speed(self):
             element.cache_clear()
             PeriodicTable._get_periodic_table_df.cache_clear()
             t1[i] = time.perf_counter()
-            Atoms(symbols="Al", positions=pos, cell=cell)
+            Atoms(symbols="Al", positions=pos, cell=cell).species[0].melting_point
             t2[i] = time.perf_counter()
-            Atoms(symbols="Al", positions=pos, cell=cell)
+            Atoms(symbols="Al", positions=pos, cell=cell).species[0].melting_point
             t3[i] = time.perf_counter()
-            Atoms(symbols="Cu", positions=pos, cell=cell)
+            Atoms(symbols="Cu", positions=pos, cell=cell).species[0].melting_point
             t4[i] = time.perf_counter()
-            Atoms(symbols="CuAl", positions=[[0., 0., 0.], [0.5, 0.5, 0.5]], cell=cell)
+            Atoms(symbols="CuAl", positions=[[0., 0., 0.], [0.5, 0.5, 0.5]], cell=cell).species[0].melting_point
             t5[i] = time.perf_counter()
-            Atoms(symbols="MgO", positions=[[0., 0., 0.], [0.5, 0.5, 0.5]], cell=cell)
+            Atoms(symbols="MgO", positions=[[0., 0., 0.], [0.5, 0.5, 0.5]], cell=cell).species[0].melting_point
             t6[i] = time.perf_counter()
-            Atoms(symbols="AlMgO", positions=[[0., 0., 0.], [0.5, 0.5, 0.5], [0.5, 0.5, 0.]], cell=cell)
+            Atoms(symbols="AlMgO", positions=[[0., 0., 0.], [0.5, 0.5, 0.5], [0.5, 0.5, 0.]], cell=cell).species[0].melting_point
             t7[i] = time.perf_counter()
         dt21 = np.mean(t2 - t1)
         dt32 = np.mean(t3 - t2)