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Restore unit test

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This commit is contained in:
Thomas Applencourt 2015-05-05 15:41:10 +02:00
parent 3f33696950
commit 0f26522eed
1 changed files with 20 additions and 20 deletions
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40
tests/unit_test/unit_test.py
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@ -20,7 +20,7 @@ Energy = namedtuple('Energy', ['without_pseudo', 'with_pseudo'])
# O p t # # O p t #
# ~#~#~ # # ~#~#~ #
precision = 1.e-8 precision = 1.e-7
# A test get a geo file and a basis file. # A test get a geo file and a basis file.
# A global dict containt the result for this test # A global dict containt the result for this test
@ -372,11 +372,11 @@ def check_convert(path_out):
# #
class ValueTest(unittest.TestCase): class ValueTest(unittest.TestCase):
# def test_hf_then_full_ci_10k_pt2_end(self): def test_hf_then_full_ci_10k_pt2_end(self):
# self.assertTrue(hf_then_10k_test(geo="methane", self.assertTrue(hf_then_10k_test(geo="methane",
# basis="sto-3g", basis="sto-3g",
# mult=1, mult=1,
# pseudo=False)) pseudo=False))
def test_hf(self): def test_hf(self):
self.assertTrue(run_hf(geo="HBO", self.assertTrue(run_hf(geo="HBO",
@ -385,20 +385,20 @@ class ValueTest(unittest.TestCase):
pseudo=True)) pseudo=True))
#class ConvertTest(unittest.TestCase): class ConvertTest(unittest.TestCase):
# def test_check_convert_hf_energy(self): def test_check_convert_hf_energy(self):
# self.assertTrue(check_convert("HBO.out")) self.assertTrue(check_convert("HBO.out"))
#
#
#class InputTest(unittest.TestCase): class InputTest(unittest.TestCase):
#
# def test_check_disk_acess(self): def test_check_disk_acess(self):
# self.assertTrue(check_disk_acess(geo="methane", self.assertTrue(check_disk_acess(geo="methane",
# basis="un-ccemd-ref")) basis="un-ccemd-ref"))
#
# def test_check_mo_guess(self): def test_check_mo_guess(self):
# self.assertTrue(check_mo_guess(geo="methane", self.assertTrue(check_mo_guess(geo="methane",
# basis="maug-cc-pVDZ")) basis="maug-cc-pVDZ"))
if __name__ == '__main__': if __name__ == '__main__':
unittest.main() unittest.main()