Test_vasp.py 679 Bytes
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#!/usr/bin/python

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import unittest
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from Tests.UnitTests.UnitTest import UnitTest
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from MDANSE import REGISTRY

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class TestVASP(UnitTest):
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    def test(self):
        parameters = {}
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        parameters['output_file'] = ('/tmp/output', ['netcdf'])
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        parameters['time_step'] = 1.0
        parameters['xdatcar_file'] = '../../../Data/Trajectories/VASP/XDATCAR_version5'
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        job = REGISTRY['job']['vasp']()
        self.assertNotRaises(job.run, parameters, status=False)
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def suite():
    loader = unittest.TestLoader()
    s = unittest.TestSuite()
    s.addTest(loader.loadTestsFromTestCase(TestVASP))
    return s
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if __name__ == '__main__':
    unittest.main(verbosity=2)