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https://github.com/triqs/dft_tools
synced 2024-06-27 07:32:19 +02:00
db16a8438d
The names of the test suites have been prefixed with an underscore to avoid name conflicts with corresponding modules. Also an attempt to make a scan of all tests has been made by creating a 'test_all.py' script that is supposed to discover all test cases and run them. Unfortunately, this does not work as expected because many tests use input files assumed to be found in the current directory, which is not true if the tests are run from a different (parent) directory. This can be fixed by either forcing the change of directory (but it seems that 'unittest' does not have this functionality) or prepending input file names with the current module directory.
77 lines
2.5 KiB
Python
77 lines
2.5 KiB
Python
r"""
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Tests of 'parse_shells()' defined in ConfigParameters class
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"""
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import arraytest
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import numpy as np
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from inpconf import ConfigParameters
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################################################################################
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#
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# TestParseShells
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#
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################################################################################
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class TestParseShells(arraytest.ArrayTestCase):
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"""
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Function:
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def parse_shells(self)
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Scenarios:
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- **if** config-file does not contain a valid [Shell] section
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**raise** AssertionError
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- **if** a [Shell] section does not contain a valid index
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**raise** ValueError
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- **if** a [Shell] section does not contain all required parameters
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**raise** Exception
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- **if** two correct [Shell] sections are defined
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**return** a dictionary of shell parameters
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"""
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# Scenario 1
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def test_no_shell(self):
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conf_pars = ConfigParameters('parse_shells_1.cfg')
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err_mess = "No projected shells"
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with self.assertRaisesRegexp(AssertionError, err_mess):
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conf_pars.parse_shells()
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# Scenario 2
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def test_bad_indices(self):
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conf_pars = ConfigParameters('parse_shells_2.cfg')
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err_mess = "Failed to extract shell indices"
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with self.assertRaisesRegexp(ValueError, err_mess):
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conf_pars.parse_shells()
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# Scenario 3
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def test_sh_required(self):
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conf_pars = ConfigParameters('parse_shells_3.cfg')
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err_mess = "Required parameter"
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with self.assertRaisesRegexp(Exception, err_mess):
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conf_pars.parse_shells()
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# Scenario 4
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def test_two_shells(self):
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conf_pars = ConfigParameters('parse_shells_4.cfg')
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conf_pars.parse_shells()
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res = conf_pars.shells
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expected = [{'user_index': 1, 'lshell': 2, 'ion_list': np.array([4, 5, 6, 7])},
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{'user_index': 2, 'lshell': 1, 'ion_list': np.array([0, 1, 2, 3]),
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'tmatrix': np.array([[ 0., 1., 0.], [ 1., 0., 0.], [ 0., 0., 1.]])}]
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# ...lousy way to test equality of two dictionaries containing numpy arrays
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self.assertEqual(len(res), len(expected))
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arr = res[0].pop('ion_list')
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arr_exp = expected[0].pop('ion_list')
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self.assertEqual(arr, arr_exp)
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arr = res[1].pop('ion_list')
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arr_exp = expected[1].pop('ion_list')
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self.assertEqual(arr, arr_exp)
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arr = res[1].pop('tmatrix')
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arr_exp = expected[1].pop('tmatrix')
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self.assertEqual(arr, arr_exp)
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self.assertListEqual(res, expected)
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