mirror of
https://github.com/triqs/dft_tools
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819fc987f0
The files from the original vasp-interface repository are reshuffled in accord with the directory structure of dft_tools. Some of the directories, such as 'test' (unit tests for the interface), 'examples' (simple examples for the development purposes) are temporarily placed into 'python/vasp' directory to avoid confusion with integral tests and examples of dft_tools.
49 lines
1.6 KiB
Python
49 lines
1.6 KiB
Python
r"""
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Tests of 'parse_parameter_set()' 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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# TestParseParameterSet
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#
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################################################################################
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class TestParseParameterSet(arraytest.ArrayTestCase):
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"""
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Function:
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def parse_parameter_set(self, section, param_set, excpetion=False)
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Scenarios:
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- **if** config-file section [Shell 1] contains 'LSHELL = 2' **and**
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'lshell' and 'ions' are in `param_set` **return** a dictionary {'lshell': 2}
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- **if** config-file section [Shell 1] contains 'LSHELL = 2' **and**
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'lshell' and 'ions' are in `param_set` and
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exception=True **raise** Exception
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"""
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def setUp(self):
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"""
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"""
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# Dummy ConfigParameters object
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self.cpars = ConfigParameters('test1.cfg')
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# Scenario 1
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def test_sh_required(self):
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param_set = self.cpars.sh_required # contains 'lshell' and 'ions'
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res = self.cpars.parse_parameter_set('Shell 1', param_set)
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expected = {'lshell': 2}
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self.assertDictEqual(res, expected)
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# Scenario 2
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def test_sh_required_exception(self):
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section = 'Shell 1'
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param_set = self.cpars.sh_required # contains 'lshell' and 'ions'
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err_mess = "Required parameter" # .* in section [%s]"%(section)
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with self.assertRaisesRegexp(Exception, err_mess):
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self.cpars.parse_parameter_set(section, param_set, exception=True)
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