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https://github.com/triqs/dft_tools
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51 lines
1.5 KiB
Python
51 lines
1.5 KiB
Python
r"""
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Tests of 'parse_groups()' 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 triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
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################################################################################
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#
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# TestParseGroups
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#
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################################################################################
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class TestParseGroups(arraytest.ArrayTestCase):
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"""
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Function:
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def parse_groups(self)
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Scenarios:
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- **if** a [Group] section does not contain all required parameters
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**raise** Exception
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- **if** a correct group section is defined **return** a list of dictionaries
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"""
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# Scenario 1
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def test_gr_required(self):
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conf_pars = ConfigParameters(_rpath + 'parse_groups_1.cfg')
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err_mess = "Required parameter"
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with self.assertRaisesRegex(Exception, err_mess):
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conf_pars.parse_groups()
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# Scenario 2
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def test_example(self):
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conf_pars = ConfigParameters(_rpath + 'example.cfg')
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conf_pars.parse_groups()
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res = conf_pars.groups
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expected = [{'index': 1, 'shells': [1, 2], 'ewindow': (-7.6, 3.0),
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'normalize': True, 'normion': True,'complement': False},
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{'index': 2, 'shells': [3], 'ewindow': (-1.6, 2.0),
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'normalize': True, 'normion': True,'complement': False}]
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print(res)
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print(expected)
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self.assertListEqual(res, expected)
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