mirror of
https://github.com/triqs/dft_tools
synced 2024-11-15 10:33:48 +01:00
dda331b986
Added 'rpath.py' module to determine the current directory. Also fixed the test example for EIGENVAL: VASP 5.4 uses a format with Fermi weights output (unlike previous versions).
37 lines
815 B
Python
37 lines
815 B
Python
r"""
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Tests for class 'Doscar' from module 'vaspio'
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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 mytest
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import numpy as np
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from vaspio import Doscar
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################################################################################
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#
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# TestDoscar
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#
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################################################################################
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class TestDoscar(mytest.MyTestCase):
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"""
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Function:
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def Doscar.from_file(vasp_dir, dos_filename)
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Scenarios:
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- correct DOSCAR file
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"""
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# Scenario 1
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def test_example(self):
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filename = 'DOSCAR.example'
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doscar = Doscar()
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doscar.from_file(vasp_dir=_rpath, dos_filename=filename)
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test_efermi = doscar.efermi
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expected = 5.84395237
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self.assertAlmostEqual(test_efermi, expected)
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