mirror of
https://github.com/triqs/dft_tools
synced 2024-12-23 04:43:42 +01:00
c8badb39ff
Originally, the tests worked only when run from their respective directory. If one tries to run them from another directory (which happens when test discovery is used) the tests were not able to find the input files. Now, a dummy module 'rpath' is added to all tests whose sole role is to obtain the current path.
81 lines
2.6 KiB
Python
81 lines
2.6 KiB
Python
r"""
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Tests of 'parse_shells()' defined in ConfigParameters class
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"""
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import os
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import rpath
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_rpath = os.path.dirname(rpath.__file__) + '/'
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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(_rpath + '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(_rpath + '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(_rpath + '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(_rpath + '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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