mirror of
https://github.com/triqs/dft_tools
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35 lines
922 B
Python
35 lines
922 B
Python
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import vaspio
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from inpconf import ConfigParameters
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import mytest
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################################################################################
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#
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# TestDataConsistency
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#
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################################################################################
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class TestDataConsistency(mytest.MyTestCase):
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"""
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Function:
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def read_plocar(filename)
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Scenarios:
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- **if** file PLOCAR does not exist **raise** IOError
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- **if** PLOCAR is truncated **raise** IOError
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- **if** the precision flag is not 4 or 8 **raise** ValueError
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- **if** PLOCAR with prec=8 is read **compare** the output
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- **if** PLOCAR with prec=4 is read **compare** the output
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"""
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# Scenario 1
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def test_example(self):
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conf_file = 'example.cfg'
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pars = ConfigParameters(conf_file)
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pars.parse_input()
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vasp_data = vaspio.VaspData('./')
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print pars.shells
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print pars.groups
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