From faa02a1fe22125f3e556098c598467ddd28c64e8 Mon Sep 17 00:00:00 2001
From: Lauri Himanen <lauri.himanen@aalto.fi>
Date: Wed, 7 Sep 2016 08:43:32 +0300
Subject: [PATCH] Removed unnecessary access of results by index 0 from test
cases.
---
test/unittests/cpmd_4.1/run_tests.py | 17 +++++++++--------
1 file changed, 9 insertions(+), 8 deletions(-)
diff --git a/test/unittests/cpmd_4.1/run_tests.py b/test/unittests/cpmd_4.1/run_tests.py
index 132cc2e..1b0a797 100644
--- a/test/unittests/cpmd_4.1/run_tests.py
+++ b/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)
--
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