Removed unnecessary access of results by index 0 from test cases.

test/unittests/cpmd_4.1/run_tests.py

@@ -210,13 +210,13 @@ class TestSinglePoint(unittest.TestCase):
 
     def test_section_method_atom_kind(self):
         kind = self.results["section_method_atom_kind"][0]
-        self.assertEqual(kind["method_atom_kind_atom_number"][0], 1)
-        self.assertEqual(kind["method_atom_kind_label"][0], "H")
+        self.assertEqual(kind["method_atom_kind_atom_number"], 1)
+        self.assertEqual(kind["method_atom_kind_label"], "H")
 
     def test_section_method_basis_set(self):
         kind = self.results["section_method_basis_set"][0]
-        self.assertEqual(kind["method_basis_set_kind"][0], "wavefunction")
-        self.assertTrue(np.array_equal(kind["mapping_section_method_basis_set_cell_associated"][0], 0))
+        self.assertEqual(kind["method_basis_set_kind"], "wavefunction")
+        self.assertTrue(np.array_equal(kind["mapping_section_method_basis_set_cell_associated"], 0))
 
     def test_single_configuration_to_calculation_method_ref(self):
         result = self.results["single_configuration_to_calculation_method_ref"]
@@ -671,15 +671,16 @@ class TestMDPrintSettings(unittest.TestCase):
         systems = results["section_system"]
 
         for i_scc, scc in sccs.items():
-            ref = scc["single_configuration_calculation_to_system_ref"][0]
+            ref = scc["single_configuration_calculation_to_system_ref"]
             system = systems[ref]
             pos = system["atom_positions"]
             vel = system["atom_velocities"]
             forces = scc["atom_forces"]
             if i_scc % 3 == 0:
-                self.assertNotEqual(pos, None)
-                self.assertNotEqual(vel, None)
-                self.assertNotEqual(forces, None)
+                pass
+                self.assertFalse(pos is None)
+                self.assertFalse(vel is None)
+                self.assertFalse(forces is None)
             else:
                 self.assertEqual(pos, None)
                 self.assertEqual(vel, None)